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 O(c1cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)c1ccc(cc1)O)O)[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC(=O)[C@@H](CC)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCrassulaceaeSinocrassula indica Ref.
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