input word = C00057062

Metabolite InformationStructural formula
Name Musabalbisiane C
Formula C28H40O12
Mw 568.25197674
CAS RN 143183-60-2
C_ID C00057062
InChIKey CPJNTZBFGMGXON-HQYXKAPLSA-N
InChICode InChI=1S/C28H40O12/c1-3-16(2)23(36)40-21-4-6-26(14-31)27(9-19(39-24(27)37)17-5-7-38-12-17)18(11-29)8-20(33)28(26,15-32)25(21,13-30)10-22(34)35/h3,5,7,12,18-21,24,29-33,37H,4,6,8-11,13-15H2,1-2H3,(H,34,35)/b16-3+
SMILES OCC1CC(O)C2(CO)C(CO)(CC(O)=O)C(OC(/C(C)=C/C)=O)CCC2(CO)C13C(O)OC(C4=COC=C4)C3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMusaceaeMusa balbisiana Ref.
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