CHEBI:225378 - Penerpene E

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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 E
ChEBI ID CHEBI:225378
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H33NO5
Net Charge 0
Average Mass 451.563
Monoisotopic Mass 451.23587
InChI InChI=1S/C27H33NO5/c1-23(2)22(30)27(31)21(32-23)19-18(29)10-11-24(3)25(4)14(9-12-26(19,24)33-27)13-16-15-7-5-6-8-17(15)28-20(16)25/h5-8,14,19,21-22,28,30-31H,9-13H2,1-4H3/t14-,19-,21-,22+,24+,25+,26+,27+/m0/s1
InChIKey WNFRKMDAAWKQEQ-DAICJADXSA-N
SMILES O=C1[C@@H]2[C@@]3(O[C@@]4([C@H]2OC(C)(C)[C@H]4O)O)[C@]([C@]5(C=6NC=7C=CC=CC7C6C[C@@H]5CC3)C)(C)CC1
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
ChEBI Ontology
Outgoing Penerpene E (CHEBI:225378) is a indoles (CHEBI:24828)
IUPAC Name
(1R,4S,15S,16R,20S,21S,24R,25S)-24,25-dihydroxy-15,16,23,23-tetramethyl-22,26-dioxa-13-azaheptacyclo[14.10.0.01,20.04,15.06,14.07,12.021,25]hexacosa-6(14),7,9,11-tetraen-19-one
Manual Xref Database
81360786 ChemSpider
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