input word = C00047084

Metabolite InformationStructural formula
Name Quadranoside I
(+)-Quadranoside I
Formula C36H58O10
Mw 650.40299807
CAS RN 267001-52-5
C_ID C00047084 ,
InChIKey YFVXYEDHMANDIJ-RGVNWKDJNA-N
InChICode InChI=1S/C36H58O10/c1-17(2)18-10-11-36(31(44)46-30-27(42)26(41)25(40)22(16-37)45-30)13-12-34(6)19(24(18)36)8-9-23-33(5)14-21(39)29(43)32(3,4)28(33)20(38)15-35(23,34)7/h18-30,37-43H,1,8-16H2,2-7H3/t18-,19+,20+,21+,22+,23+,24-,25+,26-,27+,28-,29-,30-,33+,34+,35+,36-/m0/s1
SMILES C=C(C)[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5[C@H](O)C[C@]43C)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCombretaceaeCombretum quadrangulare Ref.
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