input word = C00035812

Metabolite InformationStructural formula
Name Brasiliensic acid
Formula C32H46O6
Mw 526.3294392
CAS RN 29077-60-9
C_ID C00035812 ,
InChIKey YJAPDIVWYCOPNE-UHFFFAOYNA-N
InChICode InChI=1S/C32H46O6/c1-10-11-23(16-25(33)34)26-29-27(28(35)21(8)22(9)38-29)31(37)32(30(26)36,15-14-19(4)5)17-24(20(6)7)13-12-18(2)3/h14,21-24,37H,2,6,10-13,15-17H2,1,3-5,7-9H3,(H,33,34)/t21-,22+,23-,24+,32+/m1/s1
SMILES C1(=O)[C@](C(=C2C(=C1[C@@H](CC(=O)O)CCC)O[C@H]([C@H](C2=O)C)C)O)(CC=C(C)C)C[C@H](CCC(=C)C)C(=C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCalophyllaceae/Clusiaceae/Clusiaceae-GuttiferaeCalophyllum brasiliense Ref.
PlantaeCalophyllaceae/Clusiaceae/Clusiaceae-GuttiferaeCalophyllum inophyllum Ref.
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