CHEBI:225293 - Fusaindoterpene 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 Fusaindoterpene A
ChEBI ID CHEBI:225293
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H37NO4
Net Charge 0
Average Mass 451.607
Monoisotopic Mass 451.27226
InChI InChI=1S/C28H37NO4/c1-17(2)14-19-16-26(3)23-11-10-18-15-22(30)20-8-6-7-9-21(20)29-25(31)33-28(18,5)27(23,4)13-12-24(26)32-19/h6-9,14,18-19,23-24H,10-13,15-16H2,1-5H3,(H,29,31)/t18-,19-,23-,24-,26-,27-,28-/m0/s1
InChIKey COKQRLCVKQVSEB-KCJYFOQSSA-N
SMILES O=C1O[C@@]2([C@@]3([C@H]([C@]4([C@@H](O[C@H](C4)C=C(C)C)CC3)C)CC[C@H]2CC(C5=C(N1)C=CC=C5)=O)C)C
Metabolite of Species Details
Fusariumspecies L1 (NCBI:txid1849704) See: PubMed
ChEBI Ontology
Outgoing Fusaindoterpene A (CHEBI:225293) is a naphthofuran (CHEBI:39270)
IUPAC Name
(1S,2S,5S,7R,9S,10S,13S)-1,2,9-trimethyl-7-(2-methylprop-1-enyl)-6,24-dioxa-22-azapentacyclo[11.11.0.02,10.05,9.016,21]tetracosa-16,18,20-triene-15,23-dione
Manual Xref Database
98309160 ChemSpider
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