input word = C00003755

Metabolite InformationStructural formula
Name All-trans-squalene
Squalene
Spinacene
Supraene
trans-Squalene
Formula C30H50
Mw 410.39125159
CAS RN 111-02-4
C_ID C00003755 ,
InChIKey YYGNTYWPHWGJRM-AAJYLUCBSA-N
InChICode InChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+
SMILES CC(=CCC/C(=C/CC/C(=C/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)/C)/C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiPolyporaceaeFomes officinalis Ref.
PlantaeAlliaceaeAllium sativum Ref.
PlantaeAlliaceaeAllium Sativum Ref.
PlantaeAquifoliaceaeIlex asprella Ref.
PlantaeAraliaceaePanax ginseng Ref.
PlantaeAsteraceaeArtemisia annua Ref.
PlantaeAsteraceaeArtemisia vulgaris Ref.
PlantaeAsteraceaeBaccharis spp. Ref.
PlantaeAsteraceaeDoellingeria scaber Ref.
PlantaeAsteraceaeEriocephalus scariosus Ref.
PlantaeAsteraceaeMicroglossa zeylandica Ref.
PlantaeAsteraceaeNidorella auriculata Ref.
PlantaeCannabaceaeCannabis inflorescences Ref.
PlantaeCelastraceaeTripterygium wilfordii Ref.
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia multiflora Ref.
PlantaeCombretaceaeTerminalia brasiliensis Ref.
PlantaeCornaceae/Aucubaceae/Garryaceae/HelwingiaceaeCornus officinalis Ref.
PlantaeCruciferaeArabidopsis thaliana Ref.
PlantaeCucurbitaceaeCucurbita sp. Ref.
PlantaeCucurbitaceaeLuffa cylindrica Ref.
PlantaeCucurbitaceaeMomordica charantia Ref.
PlantaeCyatheaceaeCyathea podophylla Ref.
PlantaeEuphorbiaceaeAleurites cordata Ref.
PlantaeEuphorbiaceaeNeoboutonia glabrescens Prain Ref.
PlantaeFabaceaeAbrus precatorius Ref.
PlantaeFabaceaeAcacia pennatula Ref.
PlantaeFabaceaeCaesalpinia decapetala Ref.
PlantaeFabaceaeGlycine max Ref.
PlantaeFabaceaeMucuna puriens Ref.
PlantaeGentianaceaeGentiana lutea L. Ref.
PlantaeGentianaceaeGentiana straminea Ref.
PlantaeHydrangeaceaeHydrangea chinensis Ref.
PlantaeLabiataeCallicarpa pilosissima Ref.
PlantaeLabiataeOcimum basilicum Ref.
PlantaeLabiataePerilla frutescens Ref.
PlantaeLabiataeRosmarinus officinalis Ref.
PlantaeLabiataeSalvia canariensis L. Ref.
PlantaeLabiataeSalvia miltiorrhiza Ref.
PlantaeLabiataeSalvia splendens Ref.
PlantaeLabiataeSideritis candicans var.eriocephala Ref.
PlantaeLabiataeSideritis discolor Ref.
PlantaeLabiataeSideritis lotsyi var. mascaensis Ref.
PlantaeLabiataeSideritis soluta Ref.
PlantaeLabiataeTectona grandis Ref.
PlantaeLauraceaeCinnamomum subavenium MIQ. Ref.
PlantaeMalvaceaeAbutilon indicum Ref.
PlantaeMalvaceaeTilia vulgaris Ref.
PlantaeMeliaceaeAzadirachta indica Ref.
PlantaeMoraceaeFicus septica Ref.
PlantaeMyrtaceaeMelaleuca leucadendron Ref.
PlantaePalmaeSabal blackburniana Ref.
PlantaePoaceaeOryza sativa Ref.
PlantaePrimulaceaePrimula ovalifolia Ref.
PlantaeRutaceaeMurraya paniculata Ref.
PlantaeSamydaceaeCasearia membranacea Ref.
PlantaeSantalaceaeSantalum album Ref.
PlantaeSolanaceaeMandragora autumnalis Ref.
PlantaeSolanaceaeNicotiana tabacum Ref.
PlantaeZingiberaceaeZingiber zerumbet Ref.
--Gymnaster koraiensis Ref.
--Laurencia dendroidea Ref.
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OrganismCallicarpa pilosissima
ReferenceChen,J.Nat.Prod.,72,(2009),223