input word = C00041467

Metabolite InformationStructural formula
Name Cyclocanthoside A
Formula C35H60O9
Mw 624.42373351
CAS RN 115332-90-6
C_ID C00041467 ,
InChIKey WWWSFRYQXBVZOD-FXPVXXKYNA-N
InChICode InChI=1S/C35H60O9/c1-18(8-9-23(39)31(4,5)42)25-20(37)15-33(7)22-14-19(36)28-30(2,3)24(44-29-27(41)26(40)21(38)16-43-29)10-11-35(28)17-34(22,35)13-12-32(25,33)6/h18-29,36-42H,8-17H2,1-7H3/t18-,19+,20+,21-,22+,23+,24+,25+,26+,27-,28+,29+,32-,33+,34+,35-/m1/s1
SMILES C1[C@]23[C@H]([C@]4([C@](C1)([C@H]([C@H](C4)O)[C@@H](CC[C@H](O)C(C)(C)O)C)C)C)C[C@@H]([C@@H]1[C@@]2(CC[C@@H](C1(C)C)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)C3)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAstragalus cephalotes var.brevicalyx Ref.
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