CHEBI:211791 - Pyrrospirone 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 Pyrrospirone H
ChEBI ID CHEBI:211791
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H41NO4
Net Charge 0
Average Mass 503.683
Monoisotopic Mass 503.30356
InChI InChI=1S/C32H41NO4/c1-17-12-18(2)24-26-22-23(30(24,5)13-17)19(3)14-29(4)10-11-31(27(34)25(22)29)16-32(36,33-28(31)35)15-20-6-8-21(37-26)9-7-20/h6-9,14,17-18,22-26,36H,10-13,15-16H2,1-5H3,(H,33,35)/t17-,18+,22+,23-,24+,25+,26+,29+,30+,31+,32-/m1/s1
InChIKey KUCKCYNGDOWGEV-ZOUKQTFFSA-N
SMILES O=C1[C@@]23C(=O)N[C@@](C2)(O)CC4=CC=C(O[C@H]5[C@@H]6[C@@H]1[C@@](C=C(C)[C@H]6[C@@]7(C[C@H](C)C[C@@H]([C@@H]57)C)C)(C)CC3)C=C4
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: DOI
ChEBI Ontology
Outgoing Pyrrospirone H (CHEBI:211791) is a aromatic ether (CHEBI:35618)
IUPAC Name
(1S,4S,7S,8S,10R,12S,13R,14S,21R,25R,26S)-21-hydroxy-4,6,8,10,12-pentamethyl-15-oxa-22-azaheptacyclo[12.9.3.216,19.11,21.04,25.07,26.08,13]nonacosa-5,16,18,28-tetraene-23,24-dione
Manual Xref Database
64835252 ChemSpider
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