input word = C00032131

Metabolite InformationStructural formula
Name Sinocrassoside A9
(-)-Sinocrassoside A9
Formula C38H48O21
Mw 840.2688086
CAS RN 909803-22-1
C_ID C00032131 ,
InChIKey WICSILRDRNTASO-DRAVDMFPNA-N
InChICode InChI=1S/C38H48O21/c1-4-13(2)35(51)57-34-32(58-36-29(49)27(47)24(44)20(11-39)55-36)23(43)14(3)52-38(34)53-17-9-18(42)22-19(10-17)54-31(15-5-7-16(41)8-6-15)33(26(22)46)59-37-30(50)28(48)25(45)21(12-40)56-37/h5-10,13-14,20-21,23-25,27-30,32,34,36-45,47-50H,4,11-12H2,1-3H3/t13-,14+,20-,21-,23+,24-,25-,27+,28+,29-,30-,32-,34-,36+,37+,38+/m1/s1
SMILES CCC(C)C(=O)O[C@H]1[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)O[C@@H](C)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCrassulaceaeSinocrassula indica Ref.
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