CHEBI:213815 - Hirsutellone C

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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 Hirsutellone C
ChEBI ID CHEBI:213815
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H31NO5
Net Charge 0
Average Mass 461.558
Monoisotopic Mass 461.22022
InChI InChI=1S/C28H31NO5/c1-3-16-7-11-18-20-12-14(2)4-10-19(20)23-22(18)21(16)24(30)28-25(34-28)27(32,29-26(28)31)13-15-5-8-17(33-23)9-6-15/h3,5-9,11,14,16,18-23,25,32H,1,4,10,12-13H2,2H3,(H,29,31)/t14-,16+,18+,19-,20+,21+,22+,23+,25+,27-,28+/m1/s1
InChIKey IACNHKNLBOBPTL-OQCXHUOZSA-N
SMILES O=C1[C@]23O[C@H]2[C@](O)(CC4=CC=C(O[C@@H]5[C@@H]6[C@@H]1[C@H](C=C[C@H]6[C@@H]7C[C@H](C)CC[C@@H]57)C=C)C=C4)NC3=O
Metabolite of Species Details
Hirsutella (NCBI:txid42367) See: DOI
ChEBI Ontology
Outgoing Hirsutellone C (CHEBI:213815) is a prostanoid (CHEBI:26347)
IUPAC Name
(1R,3S,4S,7S,8S,10R,13R,14S,21R,22R,28S)-4-ethenyl-21-hydroxy-10-methyl-15,23-dioxa-25-azaheptacyclo[19.2.2.216,19.13,7.01,22.08,13.014,28]octacosa-5,16(27),17,19(26)-tetraene-2,24-dione
Manual Xref Database
9583470 ChemSpider
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