fusaridione A (open ring)
Chemical Formula:
C27H33NO5
Molecular Weight:
451.561 Daltons
Monoisotopic Mass:
451.235873175 Daltons
SMILES:
CC=C(C)C=C(C)C=CC=C(C)C=CC(C(C)C(=O)NC(C(=O)O)CC1(C=CC(O)=CC=1))=O
InChI:
1S/C27H33NO5/c1-6-18(2)16-20(4)9-7-8-19(3)10-15-25(30)21(5)26(31)28-24(27(32)33)17-22-11-13-23(29)14-12-22/h6-16,21,24,29H,17H2,1-5H3,(H,28,31)(H,32,33)/b9-7+,15-10+,18-6+,19-8+,20-16+/t21?,24-/m0/s1
InChIKey:
Synonyms
- (2S)-3-(4-hydroxyphenyl)-2-[(4E,6E,8E,10E,12E)-2,6,10,12-tetramethyl-3-oxotetradeca-4,6,8,10,12-pentaenamido]propanoic acid
- (2S)-3-(4-hydroxyphenyl)-2-[(4E,6E,8E,10E,12E)-2,6,10,12-tetramethyl-3-oxotetradeca-4,6,8,10,12-pentaenamido]propanoate
Databases
MetaCyc:
CPD-17996
PubChem (CID):
91820455
MetaNetX:
MNXM149046