CHEBI:225393 - Penerpene H

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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 Penerpene H
ChEBI ID CHEBI:225393
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H31NO5
Net Charge 0
Average Mass 449.547
Monoisotopic Mass 449.22022
InChI InChI=1S/C27H31NO5/c1-24(2,31)23-18(29)13-16-19(33-23)10-11-25(3)26(4)15(9-12-27(16,25)32)21(30)20-14-7-5-6-8-17(14)28-22(20)26/h5-8,13,15,19,23,28,31-32H,9-12H2,1-4H3/t15-,19-,23-,25+,26+,27+/m0/s1
InChIKey OUBLQCRJHJCFIK-CWXJUIEOSA-N
SMILES O=C1C=C2[C@@]3(O)[C@@]([C@]4(C=5NC=6C=CC=CC6C5C([C@@H]4CC3)=O)C)(CC[C@@H]2O[C@@H]1C(O)(C)C)C
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
ChEBI Ontology
Outgoing Penerpene H (CHEBI:225393) is a organic heterotricyclic compound (CHEBI:26979)
Penerpene H (CHEBI:225393) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(1S,2R,5S,7R,11S,14R)-11-hydroxy-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-9,16(24),17,19,21-pentaene-8,15-dione
Manual Xref Database
81360789 ChemSpider
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