CHEBI:201277 - Fusarielin A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Fusarielin A
ChEBI ID CHEBI:201277
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H38O4
Net Charge 0
Average Mass 402.575
Monoisotopic Mass 402.27701
InChI InChI=1S/C25H38O4/c1-7-14(2)21-17(10-8-9-15(3)22(27)16(4)13-26)18-11-20-24(5,28-20)12-19(18)23-25(21,6)29-23/h7-10,16-23,26-27H,11-13H2,1-6H3/b10-8+,14-7+,15-9+/t16-,17-,18-,19+,20-,21-,22+,23-,24+,25+/m0/s1
InChIKey LRMWKBJDHOHUEZ-HCZQMODJSA-N
SMILES O1[C@@]2([C@@H](/C(=C/C)/C)[C@@H](/C=C/C=C(/[C@@H](O)[C@H](CO)C)\C)[C@H]3[C@H]([C@H]12)C[C@]4(O[C@H]4C3)C)C
Metabolite of Species Details
Fusarium (NCBI:txid5506) See: PubMed
ChEBI Ontology
Outgoing Fusarielin A (CHEBI:201277) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name
(2S,3S,4E,6E)-7-[(1R,2S,4R,5R,6S,7S,9S,11R)-5-[(E)-but-2-en-2-yl]-4,11-dimethyl-3,10-dioxatetracyclo[5.5.0.02,4.09,11]dodecan-6-yl]-2,4-dimethylhepta-4,6-diene-1,3-diol
Manual Xref Database
8629169 ChemSpider
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