CHEBI:222072 - Calidoustene 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 Calidoustene C
ChEBI ID CHEBI:222072
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H30O6
Net Charge 0
Average Mass 402.487
Monoisotopic Mass 402.20424
InChI InChI=1S/C23H30O6/c1-5-6-7-8-9-11-17(24)28-16-14-15-19(25)29-20(26)23(15,27)22(4)13-10-12-21(2,3)18(16)22/h5-9,11,14,16,18,20,26-27H,10,12-13H2,1-4H3/b6-5+,8-7+,11-9+/t16-,18+,20-,22+,23+/m1/s1
InChIKey SCKUBOALXZYSRC-MZEWFBALSA-N
SMILES O=C1O[C@@H](O)[C@]2(C1=C[C@@H](OC(=O)/C=C/C=C/C=C/C)[C@H]3C(CCC[C@]23C)(C)C)O
Metabolite of Species Details
Aspergillus calidoustus (NCBI:txid454130) See: PubMed
ChEBI Ontology
Outgoing Calidoustene C (CHEBI:222072) is a terpene lactone (CHEBI:37668)