input word = C00046991

Metabolite InformationStructural formula
Name 1-O-Methylneobractatin
(+)-1-O-Methylneobractatin
Formula C29H34O6
Mw 478.23553882
CAS RN 267898-00-0
C_ID C00046991 ,
InChIKey WEWGATKIRLFKAG-UHFFFAOYNA-N
InChICode InChI=1S/C29H34O6/c1-9-26(4,5)22-19(30)13-20(33-8)21-23(31)17-12-16-18-14-29(17,34-24(21)22)25(32)28(16,11-10-15(2)3)35-27(18,6)7/h9-10,12-13,16,18,30H,1,11,14H2,2-8H3/t16-,18+,28+,29+/m0/s1
SMILES c1(cc(c2c(c1C(C)(C)C=C)O[C@]13C(=C[C@@H]4[C@](C1=O)(OC([C@@H]4C3)(C)C)CC=C(C)C)C2=O)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia bracteata Ref.
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