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