input word = C00010140

Metabolite InformationStructural formula
Name Isocaviunin 7-O-gentiobioside
Formula C31H38O18
Mw 698.20581441
CAS RN 74517-73-0
C_ID C00010140 ,
InChIKey GDKJKYQGMIFYJT-YCSIMQJDNA-N
InChICode InChI=1S/C31H38O18/c1-41-14-7-16(43-3)15(42-2)5-11(14)12-9-45-29-20(21(12)34)13(33)6-17(28(29)44-4)47-31-27(40)25(38)23(36)19(49-31)10-46-30-26(39)24(37)22(35)18(8-32)48-30/h5-7,9,18-19,22-27,30-33,35-40H,8,10H2,1-4H3/t18-,19-,22-,23-,24+,25+,26+,27-,30-,31-/m1/s1
SMILES O(c1c(c2c(c(=O)c(co2)c2cc(c(cc2OC)OC)OC)c(c1)O)OC)[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)CO)O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeDalbergia sissoo Ref.
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