input word = C00003448

Metabolite InformationStructural formula
Name Kansuinine B
Formula C38H42O14
Mw 722.25745605
CAS RN 57685-46-8
C_ID C00003448 ,
InChIKey JFOILMZFESGPDU-SDHZVGCPNA-N
InChICode InChI=1S/C38H42O14/c1-18-26(50-33(44)22-14-10-8-11-15-22)24-31(48-20(3)39)37(7,47)35(46)38(24,52-21(4)40)29(42)19(2)28-32(49-28)36(5,6)30(43)25(41)27(18)51-34(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=C1[C@H](OC(=O)c2ccccc2)[C@H]2[C@@H](OC(C)=O)[C@](C)(O)[C@H](O)[C@]2(OC(C)=O)C(=O)[C@@H](C)[C@@H]2O[C@H]2C(C)(C)C(=O)[C@H](O)[C@H]1OC(=O)c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeEuphorbia kansui Ref.
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