input word = C00061871

Metabolite InformationStructural formula
Name Methyl mangiferolate
Formula C31H50O3
Mw 470.37599546
CAS RN 4728-36-3
C_ID C00061871
InChIKey MMDHLHZOGIKYPL-BZQUZNFASA-N
InChICode InChI=1S/C31H50O3/c1-20(9-8-10-21(2)26(33)34-7)22-13-15-29(6)24-12-11-23-27(3,4)25(32)14-16-30(23)19-31(24,30)18-17-28(22,29)5/h10,20,22-25,32H,8-9,11-19H2,1-7H3/b21-10+/t20-,22-,23+,24+,25+,28-,29+,30-,31+/m1/s1
SMILES COC(=O)C(C)=CCCC(C)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnacardiaceaeMangifera indica Ref.
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