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CHEBI:222243 - Curvulaide A

ChEBI IDCHEBI:222243
ChEBI NameCurvulaide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H30O4
Net Charge0
Average Mass394.511
Monoisotopic Mass394.21441
SMILESCC(=O)Cc1c(C)cc2c(c1/C=C(C)/C=C(C)/C=C/C(=O)O)[C@@H](C)C(=O)[C@@H](C)C2
InChIInChI=1S/C25H30O4/c1-14(7-8-23(27)28)9-15(2)10-22-21(13-18(5)26)16(3)11-20-12-17(4)25(29)19(6)24(20)22/h7-11,17,19H,12-13H2,1-6H3,(H,27,28)/b8-7+,14-9+,15-10+/t17-,19+/m0/s1
InChIKeyDBLDTPIVBWACBP-XTQNXRCHSA-N
Species of MetaboliteComponentSourceComments
Curvulariaspecies IFB-Z10 (ncbitaxon:1526222) - PubMed (30367175)
ChEBI Ontology
Outgoing Relation(s)
Curvulaide A (CHEBI:222243) is a tetralins (CHEBI:36786)
IUPAC Name 
(2E,4E,6E)-4,6-dimethyl-7-[(6S,8R)-3,6,8-trimethyl-7-oxo-2-(2-oxopropyl)-6,8-dihydro-5H-naphthalen-1-yl]hepta-2,4,6-trienoic acid
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71116047ChemSpider