input word = C00037723

Metabolite InformationStructural formula
Name Randiasaponin VII
(+)-Randiasaponin VII
Formula C42H68O15
Mw 812.4558215
CAS RN 284685-31-0
C_ID C00037723 ,
InChIKey SIRZWEUDBHEGCL-AQNUIQEDNA-N
InChICode InChI=1S/C42H68O15/c1-37(2)13-15-42(36(53)57-35-32(51)30(49)28(47)22(18-44)55-35)16-14-40(5)20(26(42)33(37)52)7-8-24-38(3)11-10-25(39(4,19-45)23(38)9-12-41(24,40)6)56-34-31(50)29(48)27(46)21(17-43)54-34/h7,21-35,43-52H,8-19H2,1-6H3/t21-,22-,23-,24-,25+,26-,27+,28-,29+,30+,31-,32-,33+,34+,35+,38+,39+,40-,41-,42+/m1/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([C@H]1O)(C)C)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)C)C)(CO)C)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeRandia formosa Ref.
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