input word = C00032134

Metabolite InformationStructural formula
Name Sinocrassoside B3
(-)-Sinocrassoside B3
Formula C32H38O17
Mw 694.21089979
CAS RN 909803-29-8
C_ID C00032134 ,
InChIKey ONNZFWMVOKSPIJ-NXQPQARWNA-N
InChICode InChI=1S/C32H38O17/c1-4-11(2)30(43)48-28-21(37)12(3)44-32(26(28)42)45-14-8-17(36)20-18(9-14)46-27(13-5-6-15(34)16(35)7-13)29(23(20)39)49-31-25(41)24(40)22(38)19(10-33)47-31/h5-9,11-12,19,21-22,24-26,28,31-38,40-42H,4,10H2,1-3H3/t11-,12-,19+,21-,22+,24-,25+,26+,28+,31-,32-/m0/s1
SMILES CC[C@H](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)c(O)c4)oc3c2)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCrassulaceaeSinocrassula indica Ref.
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