input word = C00049228

Metabolite InformationStructural formula
Name Methyl pomolate
Formula C31H50O4
Mw 486.37091008
CAS RN 14511-72-9
C_ID C00049228 ,
InChIKey KVKFKYPXEAKDHI-YMPGOCADNA-N
InChICode InChI=1S/C31H50O4/c1-19-11-16-31(25(33)35-8)18-17-28(5)20(24(31)30(19,7)34)9-10-22-27(4)14-13-23(32)26(2,3)21(27)12-15-29(22,28)6/h9,19,21-24,32,34H,10-18H2,1-8H3/t19-,21+,22-,23+,24-,27+,28-,29-,30-,31+/m1/s1
SMILES COC(=O)[C@]12CC[C@@H](C)[C@@](C)(O)[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCecropiaceaeMusanga cecropioides Ref.
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