CHEBI:202395 - Fusarielin D

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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 D
ChEBI ID CHEBI:202395
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H36O4
Net Charge 0
Average Mass 400.559
Monoisotopic Mass 400.26136
InChI InChI=1S/C25H36O4/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/h7-10,16-21,23,26H,11-13H2,1-6H3/b10-8+,14-7+,15-9+/t16?,17-,18-,19+,20-,21-,23-,24+,25+/m0/s1
InChIKey TZLAKQNUAICCGL-DHQJTKRFSA-N
SMILES O=C(/C(=C/C=C/[C@@H]1[C@H](/C(=C/C)/C)[C@]2(O[C@H]2[C@H]3[C@H]1C[C@@H]4O[C@@]4(C3)C)C)/C)C(CO)C
Metabolite of Species Details
Fusariumspecies (NCBI:txid29916) See: PubMed
ChEBI Ontology
Outgoing Fusarielin D (CHEBI:202395) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name
(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]-1-hydroxy-2,4-dimethylhepta-4,6-dien-3-one
Manual Xref Database
8606560 ChemSpider
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