input word = C00055880

Metabolite InformationStructural formula
Name Garcinialone
Formula C38H50O7
Mw 618.35565395
CAS RN 1046812-36-5
C_ID C00055880
InChIKey BKNNXAMDCCFONT-WGCKUIOBSA-N
InChICode InChI=1S/C38H50O7/c1-21(2)10-12-24-18-36-19-25(13-11-22(3)4)35(9,43)20-38(36,44)30-31(41)26-16-27(39)28(40)17-29(26)45-32(30)37(33(36)42,34(24,7)8)15-14-23(5)6/h10-11,14,16-17,24-25,39-40,43-44H,12-13,15,18-20H2,1-9H3/t24-,25+,35+,36-,37+,38-/m0/s1
SMILES OC1=C(O)C=C2C(C(C([C@](C[C@@](C)(O)[C@H](C/C=C(C)/C)C3)(O)[C@]3(C[C@H](C/C=C(C)/C)C4(C)C)C([C@@]54C/C=C(C)/C)=O)=C5O2)=O)=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia multiflora Ref.
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