input word = C00058333

Metabolite InformationStructural formula
Name 3'-O-caffeoylsweroside
Formula C25H28O12
Mw 520.15807636
CAS RN 178494-11-6
C_ID C00058333
InChIKey XOGGREZGCFWEBP-KHYBMMPHSA-N
InChICode InChI=1S/C25H28O12/c1-2-13-14-7-8-33-23(32)15(14)11-34-24(13)37-25-21(31)22(20(30)18(10-26)35-25)36-19(29)6-4-12-3-5-16(27)17(28)9-12/h2-6,9,11,13-14,18,20-22,24-28,30-31H,1,7-8,10H2/b6-4+/t13-,14+,18-,20-,21-,22+,24+,25+/m1/s1
SMILES C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](OC(=O)/C=C/c3ccc(O)c(O)c3)[C@H]2O)OC=C2C(=O)OCC[C@H]21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeAnthocephalus chinensis Ref.
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