input word = C00031887

Metabolite InformationStructural formula
Name Inocalophyllin B
Pseudobrasiliensic acid
Formula C32H46O6
Mw 526.3294392
CAS RN 142382-37-4
C_ID C00031887 ,
InChIKey BGZGGCFNSXHMDD-UHFFFAOYNA-N
InChICode InChI=1S/C32H46O6/c1-10-11-23(16-25(33)34)26-29(36)27-28(35)21(8)22(9)38-31(27)32(30(26)37,15-14-19(4)5)17-24(20(6)7)13-12-18(2)3/h12,14,21-24,36H,6,10-11,13,15-17H2,1-5,7-9H3,(H,33,34)/t21-,22+,23+,24+,32-/m0/s1
SMILES C=C(C)C(CC=C(C)C)CC1(CC=C(C)C)C(=O)C(C(CCC)CC(=O)O)=C(O)C2=C1OC(C)C(C)C2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCalophyllaceae/Clusiaceae/Clusiaceae-GuttiferaeCalophyllum inophyllum L. Ref.
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