CHEBI:2880 - asperlicin

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ChEBI Name asperlicin
ChEBI ID CHEBI:2880
Stars This entity has been manually annotated by a third party.
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Formula C31H29N5O4
Net Charge 0
Average Mass 535.594
Monoisotopic Mass 535.22195
InChI InChI=1S/C31H29N5O4/c1-17(2)15-22-29(39)36-25-14-8-5-11-20(25)31(40,30(36)34-22)16-23-26-32-21-12-6-3-9-18(21)28(38)35(26)24-13-7-4-10-19(24)27(37)33-23/h3-14,17,22-23,30,34,40H,15-16H2,1-2H3,(H,33,37)/t22-,23-,30?,31?/m0/s1
InChIKey MGMRIOLWEROPJY-FEMCMSFOSA-N
SMILES C=1C=CC2=C(C1)C(N3C=4C=CC=CC4C(N[C@H](C3=N2)CC5(C=6C=CC=CC6N7C5N[C@](C7=O)(CC(C)C)[H])O)=O)=O
Roles Classification
Biological Role(s): Aspergillus metabolite
Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
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ChEBI Ontology
Outgoing asperlicin (CHEBI:2880) has role Aspergillus metabolite (CHEBI:76956)
asperlicin (CHEBI:2880) is a asperlicins (CHEBI:91003)
asperlicin (CHEBI:2880) is a organic heterotetracyclic compound (CHEBI:38163)
Synonym Source
Asperlicin KEGG COMPOUND
Manual Xrefs Databases
Asperlicin Wikipedia
C00017731 KNApSAcK
C11688 KEGG COMPOUND
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Registry Number Type Source
93413-04-8 CAS Registry Number KEGG COMPOUND
Last Modified
27 January 2016