input word = C00056309

Metabolite InformationStructural formula
Name Lucyoside J
Formula C42H66O15
Mw 810.44017144
CAS RN 100156-31-8
C_ID C00056309
InChIKey PMVQXJMFSBPEIC-HXLGSOHTSA-N
InChICode InChI=1S/C42H66O15/c1-37(2)15-21-20-7-8-25-38(3)11-10-27(56-34-32(51)30(49)28(47)22(17-43)54-34)39(4,19-45)24(38)9-12-41(25,6)40(20,5)13-14-42(21,16-26(37)46)36(53)57-35-33(52)31(50)29(48)23(18-44)55-35/h7,19,21-35,43-44,46-52H,8-18H2,1-6H3/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)C[C@H]2C3=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]6O)[C@@](C)(C=O)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeLuffa cylindrica Ref.
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