CHEBI:209823 - Penerpene 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 Penerpene D
ChEBI ID CHEBI:209823
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H25NO3
Net Charge 0
Average Mass 363.457
Monoisotopic Mass 363.18344
InChI InChI=1S/C23H25NO3/c1-21-9-8-18-16(12-19(25)27-18)23(21,26)10-7-13-11-15-14-5-3-4-6-17(14)24-20(15)22(13,21)2/h3-6,12-13,18,24,26H,7-11H2,1-2H3/t13-,18-,21+,22+,23+/m0/s1
InChIKey NFTGNVPOAXTQOU-OSJOOWHZSA-N
SMILES O=C1O[C@H]2CC[C@]3([C@@](C2=C1)(O)CC[C@@H]4[C@@]3(C=5NC=6C=CC=CC6C5C4)C)C
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
ChEBI Ontology
Outgoing Penerpene D (CHEBI:209823) is a indoles (CHEBI:24828)
IUPAC Name
(1S,2R,5S,10S,13S)-10-hydroxy-1,2-dimethyl-6-oxa-22-azahexacyclo[11.10.0.02,10.05,9.015,23.016,21]tricosa-8,15(23),16,18,20-pentaen-7-one
Manual Xref Database
76003788 ChemSpider
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