input word = C00042531

Metabolite InformationStructural formula
Name Garcihombronane E
(+)-Garcihombronane E
(25R)-3alpha-Hydroxy-23-oxo-9,16-lanostadien-26-oic acid
Formula C30H46O4
Mw 470.33960996
CAS RN 313947-65-8
C_ID C00042531 ,
InChIKey MSMIBGMKDUWCSX-LBVSJLNGNA-N
InChICode InChI=1S/C30H46O4/c1-18(16-20(31)17-19(2)26(33)34)21-10-14-30(7)23-8-9-24-27(3,4)25(32)12-13-28(24,5)22(23)11-15-29(21,30)6/h10-11,18-19,23-25,32H,8-9,12-17H2,1-7H3,(H,33,34)/t18-,19-,23-,24+,25-,28-,29-,30+/m1/s1
SMILES C[C@H](CC(=O)C[C@@H](C)C1=CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@]12C)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia hombroniana Ref.
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia speciosa Ref.
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OrganismGarcinia hombroniana
ReferenceRukachaisirikul,J.Nat.Prod.,68,(2005),1222