input word = C00032126

Metabolite InformationStructural formula
Name Sinocrassoside A4
(-)-Sinocrassoside A4
Formula C31H36O16
Mw 664.20033511
CAS RN 909803-19-6
C_ID C00032126 ,
InChIKey QJEROWRGWMZESI-UBMAYMEMNA-N
InChICode InChI=1S/C31H36O16/c1-11(2)29(41)46-27-20(35)12(3)42-31(25(27)40)43-15-8-16(34)19-17(9-15)44-26(13-4-6-14(33)7-5-13)28(22(19)37)47-30-24(39)23(38)21(36)18(10-32)45-30/h4-9,11-12,18,20-21,23-25,27,30-36,38-40H,10H2,1-3H3/t12-,18+,20-,21-,23-,24+,25+,27+,30-,31-/m0/s1
SMILES CC(C)C(=O)O[C@@H]1[C@@H](O)[C@H](C)O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCrassulaceaeSinocrassula indica Ref.
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