input word = C00037978

Metabolite InformationStructural formula
Name 11,12-Dehydroursolic acid lactone
Ehretiolide
Ursolic acid lactone
Formula C30H46O3
Mw 454.34469533
CAS RN 35959-05-8
C_ID C00037978 ,
InChIKey UVBLDLGZDSGCSN-UHFFFAOYNA-N
InChICode InChI=1S/C30H46O3/c1-18-8-14-29-17-16-28(7)27(6)13-9-20-25(3,4)22(31)11-12-26(20,5)21(27)10-15-30(28,33-24(29)32)23(29)19(18)2/h10,15,18-23,31H,8-9,11-14,16-17H2,1-7H3/t18-,19+,20-,21-,22-,23-,26+,27+,28+,29-,30-/m0/s1
SMILES C1[C@@H](C([C@H]2[C@@](C1)([C@H]1[C@@](CC2)([C@@]2([C@]3(C=C1)[C@@H]1[C@@](CC2)(CC[C@@H]([C@H]1C)C)C(=O)O3)C)C)C)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeCentella asiatica Ref.
PlantaeAsteraceaeHelichrysum italicum Ref.
PlantaeMyrtaceaeEucalyptus camaldulensis var.obtusa Ref.
PlantaeMyrtaceaeEucalyptus tereticornis Ref.
PlantaeMyrtaceaePsidium guajava Ref.
PlantaeTheaceae/Pentaphylacaceae/TernstroemiaceaeTernstroemia gymnanthera Ref.
PlantaeVerbenaceaeVerbena officinalis Ref.
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