input word = C00047085

Metabolite InformationStructural formula
Name Quadranoside V
(+)-Quadranoside V
Formula C36H56O11
Mw 664.38226263
CAS RN 267001-56-9
C_ID C00047085 ,
InChIKey XNXMFRGRMHPZKN-VUIJNUPPNA-N
InChICode InChI=1S/C36H56O11/c1-17-9-10-36(31(45)47-30-27(43)26(42)25(41)22(15-37)46-30)12-11-34(5)19(24(36)18(17)2)7-8-23-32(3)13-21(40)29(44)33(4,16-38)28(32)20(39)14-35(23,34)6/h7,17,20-23,25-30,37-44H,8-16H2,1-6H3/t17-,20-,21-,22-,23-,25-,26+,27-,28-,29+,30+,32-,33+,34-,35-,36+/m1/s1
SMILES CC1=C2C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5[C@H](O)C[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)CC[C@H]1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCombretaceaeCombretum quadrangulare Ref.
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