input word = C00032123

Metabolite InformationStructural formula
Name Sinocrassoside A12
(-)-Sinocrassoside A12
Formula C37H46O22
Mw 842.24807316
CAS RN 909803-25-4
C_ID C00032123 ,
InChIKey WRBXFHFSNJEQQL-CIIWUIFRNA-N
InChICode InChI=1S/C37H46O22/c1-12(9-38)34(51)52-11-20-23(43)26(46)29(49)37(57-20)58-31-13(2)53-35(30(50)27(31)47)59-33-24(44)21-17(41)7-16(54-36-28(48)25(45)22(42)19(10-39)56-36)8-18(21)55-32(33)14-3-5-15(40)6-4-14/h3-8,12-13,19-20,22-23,25-31,35-43,45-50H,9-11H2,1-2H3/t12-,13+,19-,20-,22-,23-,25+,26+,27+,28-,29-,30-,31+,35+,36-,37+/m1/s1
SMILES CC(CO)C(=O)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@H](Oc3c(-c4ccc(O)cc4)oc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc(O)c4c3=O)O[C@H]2C)[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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