CHEBI:200971 - Cottoquinazoline 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 Cottoquinazoline C
ChEBI ID CHEBI:200971
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H25N5O4
Net Charge 0
Average Mass 471.517
Monoisotopic Mass 471.19065
InChI InChI=1S/C26H25N5O4/c1-3-13(2)19-24(34)30-17-11-7-5-9-15(17)26(35)12-18-22(32)28-21(31(19)25(26)30)20-27-16-10-6-4-8-14(16)23(33)29(18)20/h4-11,13,18-19,21,25,35H,3,12H2,1-2H3,(H,28,32)/t13-,18+,19-,21+,25+,26+/m0/s1
InChIKey PZOAJKRRXRFASI-OPYINKAOSA-N
SMILES O=C1N2C(=NC3=C1C=CC=C3)[C@H]4N5[C@H]6N(C([C@@H]5[C@H](CC)C)=O)C7=C([C@@]6(C[C@@H]2C(=O)N4)O)C=CC=C7
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: PubMed
Aspergillus (NCBI:txid5052) See: PubMed
ChEBI Ontology
Outgoing Cottoquinazoline C (CHEBI:200971) is a quinazolines (CHEBI:38530)
IUPAC Names
(1R,3S,12R,14R,27S)-3-[(2S)-butan-2-yl]-12-hydroxy-2,5,15,23,25-pentazaheptacyclo[12.10.2.12,5.06,11.015,24.017,22.012,27]heptacosa-6,8,10,17,19,21,23-heptaene-4,16,26-trione
(1S,12S,14S,27R)-12-hydroxy-3-methylidene-2,5,15,23,25-pentazaheptacyclo[12.10.2.12,5.06,11.015,24.017,22.012,27]heptacosa-6,8,10,17,19,21,23-heptaene-4,16,26-trione
Manual Xrefs Databases
60596792 ChemSpider
78436703 ChemSpider
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