input word = C00035066

Metabolite InformationStructural formula
Name Caryocaroside II-7
(+)-Caryocaroside II-7
Formula C42H66O15
Mw 810.44017144
CAS RN 880493-72-1
C_ID C00035066 ,
InChIKey JDGKHHCYVKBIIT-OYAUWNEYNA-N
InChICode InChI=1S/C42H66O15/c1-37(2)13-15-42(36(52)53)16-14-40(5)20(21(42)17-37)7-8-24-38(3)11-10-25(39(4,19-44)23(38)9-12-41(24,40)6)55-35-30(49)31(29(48)32(57-35)33(50)51)56-34-28(47)27(46)26(45)22(18-43)54-34/h7,21-32,34-35,43-49H,8-19H2,1-6H3,(H,50,51)(H,52,53)/t21-,22+,23+,24+,25-,26-,27-,28+,29-,30+,31-,32-,34-,35+,38-,39-,40+,41+,42+/m0/s1
SMILES C1[C@@H]([C@]([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@](CC2)(CCC(C1)(C)C)C(=O)O)C)C)C)(CO)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)O)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryocaraceaeCaryocar villosum Ref.
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