input word = C00055312

Metabolite InformationStructural formula
Name Congmuyanoside A
Formula C41H66O14
Mw 782.44525682
CAS RN 894788-65-9
C_ID C00055312
InChIKey QXLQUZDSFPAXJD-XSFKZOBRSA-N
InChICode InChI=1S/C41H66O14/c1-36(2)13-14-41(35(50)51)21(15-36)20-7-8-25-37(3)11-10-27(38(4,19-43)24(37)9-12-39(25,5)40(20,6)16-26(41)45)54-33-31(49)32(22(44)18-52-33)55-34-30(48)29(47)28(46)23(17-42)53-34/h7,21-34,42-49H,8-19H2,1-6H3,(H,50,51)/t21-,22-,23+,24+,25+,26+,27-,28+,29-,30+,31+,32-,33-,34-,37-,38-,39+,40+,41+/m0/s1
SMILES CC1(CC[C@]2([C@@](C([C@]3(C[C@H]2O)C)=CC[C@]4([C@]3(CC[C@@]5([C@@]4(CC[C@@H]([C@@]5(C)CO)O[C@@H]6OC[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)[H])C)[H])([H])C1)C(O)=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeAralia elata Ref.
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