input word = C00032555

Metabolite InformationStructural formula
Name Zygophyloside O
(+)-Zygophyloside O
Formula C35H54O12S
Mw 698.33359792
CAS RN 1064121-31-8
C_ID C00032555 ,
InChIKey HMCKMPODDDRSBN-VPPCEBHINA-N
InChICode InChI=1S/C35H54O12S/c1-18-9-14-34(29(38)39)15-16-35(30(40)41)20(25(34)19(18)2)7-8-23-32(5)12-11-24(31(3,4)22(32)10-13-33(23,35)6)46-28-27(47-48(42,43)44)26(37)21(36)17-45-28/h7,18-19,21-28,36-37H,8-17H2,1-6H3,(H,38,39)(H,40,41)(H,42,43,44)/t18-,19+,21-,22+,23-,24+,25+,26+,27-,28+,32+,33-,34+,35-/m1/s1
SMILES C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C(=O)O)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6OS(=O)(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZygophyllaceaeZygophyllum fabago L. Ref.
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