input word = C00046056

Metabolite InformationStructural formula
Name Kansuinin C
(+)-Kansuinin C
Formula C38H42O14
Mw 722.25745605
CAS RN 466690-07-3
C_ID C00046056 ,
InChIKey GGNRKDBHYWEODY-SDHZVGCPNA-N
InChICode InChI=1S/C38H42O14/c1-18-26(51-33(44)22-14-10-8-11-15-22)24-31(48-20(3)39)37(7,46)35(49-21(4)40)38(24,47)29(42)19(2)28-32(50-28)36(5,6)30(43)25(41)27(18)52-34(45)23-16-12-9-13-17-23/h8-17,19,24-28,31-32,35,41,46-47H,1H2,2-7H3/t19-,24-,25+,26-,27-,28-,31+,32+,35-,37-,38+/m0/s1
SMILES [C@@H]1(C(=C)[C@@H]([C@H](C(=O)C([C@H]2[C@H]([C@@H](C(=O)[C@@]3([C@@H]1[C@H]([C@]([C@@H]3OC(=O)C)(C)O)OC(=O)C)O)C)O2)(C)C)O)OC(=O)c1ccccc1)OC(=O)c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeEuphorbia kansui Ref.
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