CHEBI:221572 - Xenoacremone 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 Xenoacremone C
ChEBI ID CHEBI:221572
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H37NO5
Net Charge 0
Average Mass 491.628
Monoisotopic Mass 491.26717
InChI InChI=1S/C30H37NO5/c1-5-18-8-11-20-21-13-15(2)12-16(3)22(21)27-24(20)23(18)26(32)25-28(35-4)30(34,31-29(25)33)14-17-6-9-19(36-27)10-7-17/h5-11,15-16,18,20-24,27-28,32,34H,1,12-14H2,2-4H3,(H,31,33)/t15-,16+,18-,20-,21+,22-,23-,24-,27-,28+,30+/m1/s1
InChIKey RZQCKQOLTJHJAA-HURMHVFFSA-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]2OC)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 C (CHEBI:221572) is a diterpenoid (CHEBI:23849)