CHEBI:221564 - Xenoacremone A

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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 Xenoacremone A
ChEBI ID CHEBI:221564
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H35NO5
Net Charge 0
Average Mass 477.601
Monoisotopic Mass 477.25152
InChI InChI=1S/C29H35NO5/c1-4-17-7-10-19-20-12-14(2)11-15(3)21(20)26-23(19)22(17)25(31)24-27(32)29(34,30-28(24)33)13-16-5-8-18(35-26)9-6-16/h4-10,14-15,17,19-23,26-27,31-32,34H,1,11-13H2,2-3H3,(H,30,33)/t14-,15+,17-,19-,20+,21-,22-,23-,26-,27+,29+/m1/s1
InChIKey PVYSWTYUEABVFY-HEMIDZQVSA-N
SMILES O=C1N[C@]2(O)CC3=CC=C(C=C3)O[C@H]4[C@H]5[C@H](C(=C1[C@@H]2O)O)[C@@H](C=C[C@@H]5[C@@H]6C[C@H](C)C[C@@H]([C@@H]46)C)C=C
Metabolite of Species Details
Aspergillus nidulans (NCBI:txid162425) See: PubMed
ChEBI Ontology
Outgoing Xenoacremone A (CHEBI:221564) is a diterpenoid (CHEBI:23849)