input word = C00033335

Metabolite InformationStructural formula
Name Quadranoside X
(+)-Quadranoside X
Formula C36H58O10
Mw 650.40299807
CAS RN 297141-62-9
C_ID C00033335 ,
InChIKey DFNVNGOVMIJDKY-GRHDMWCINA-N
InChICode InChI=1S/C36H58O10/c1-31(2)11-13-36(30(44)46-29-27(42)26(41)25(40)22(17-37)45-29)14-12-34(5)19(20(36)15-31)7-8-24-32(3)16-21(39)28(43)33(4,18-38)23(32)9-10-35(24,34)6/h21-29,37-43H,7-18H2,1-6H3/t21-,22-,23-,24-,25+,26+,27-,28+,29+,32+,33+,34-,35-,36+/m1/s1
SMILES CC1(C)CC[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(=C2C1)CC[C@@H]1[C@@]2(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]2CC[C@]13C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCombretaceaeCombretum quadrangulare Ref.
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