input word = C00032122

Metabolite InformationStructural formula
Name Sinocrassoside A11
(-)-Sinocrassoside A11
Formula C37H46O21
Mw 826.25315854
CAS RN 909803-24-3
C_ID C00032122 ,
InChIKey QUSSIWTUDNZHMF-NNUWYRMMNA-N
InChICode InChI=1S/C37H46O21/c1-12(2)34(50)51-11-20-23(42)26(45)29(48)37(56-20)57-31-13(3)52-35(30(49)27(31)46)58-33-24(43)21-17(40)8-16(53-36-28(47)25(44)22(41)19(10-38)55-36)9-18(21)54-32(33)14-4-6-15(39)7-5-14/h4-9,12-13,19-20,22-23,25-31,35-42,44-49H,10-11H2,1-3H3/t13-,19+,20+,22+,23+,25-,26-,27-,28+,29+,30+,31-,35-,36+,37-/m0/s1
SMILES CC(C)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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