input word = C00005538

Metabolite InformationStructural formula
Name Isorhamnetin 3-O-robinobioside
Isorhamnetin 3-robinobioside
Isorhamnetin-3-O-robinobioside
Formula C28H32O16
Mw 624.16903498
CAS RN 53584-69-3
C_ID C00005538 ,
InChIKey UIDGLYUNOUKLBM-QMCFYMAJNA-N
InChICode InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16-,18-,19+,21-,22-,23-,24+,27+,28-/m0/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)C)O)O)O)O)O)O)c1ccc(c(c1)OC)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeActinidiaceaeActinidia polygama Ref.
PlantaeAmaranthaceaeAerva javanica Ref.
PlantaeAristolochiaceaeAristolochia heterophylla Hemsl Ref.
PlantaeAsteraceaeBellis perennis Ref.
PlantaeCampanulaceae/LobeliaceaeCampanula glomerata Ref.
PlantaeChenopodiaceaeChenopodium spp. Ref.
PlantaeConvallariaceaeConvallaria keiskei Ref.
PlantaeErythropalaceaeScorodocarpus borneensis Ref.
PlantaeIridaceaeCrocus sativus Ref.
PlantaeMyrsinaceaeLysimachia spp. Ref.
PlantaeNitrariaceaeNitraria retusa Ref.
PlantaePrimulaceaePrimula officinalis Ref.
PlantaeRosaceaePyrus communis Ref.
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