input word = C00055313

Metabolite InformationStructural formula
Name Congmuyanoside I
Formula C42H68O15
Mw 812.4558215
CAS RN 1033436-71-3
C_ID C00055313
InChIKey HJAXTVQHZWCNKL-MSISAWKHSA-N
InChICode InChI=1S/C42H68O15/c1-37(2)13-14-42(36(52)53)21(15-37)20-7-8-25-38(3)11-10-27(39(4,19-45)24(38)9-12-40(25,5)41(20,6)16-26(42)46)56-35-32(51)33(29(48)23(18-44)55-35)57-34-31(50)30(49)28(47)22(17-43)54-34/h7,21-35,43-51H,8-19H2,1-6H3,(H,52,53)/t21-,22+,23+,24+,25+,26+,27-,28+,29+,30-,31+,32+,33-,34-,35-,38-,39-,40+,41+,42+/m0/s1
SMILES CC1(C)CC[C@]2(C(=O)O)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeAralia elata Ref.
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