CHEBI:219906 - Terreolide 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 Terreolide A
ChEBI ID CHEBI:219906
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H44O7
Net Charge 0
Average Mass 516.675
Monoisotopic Mass 516.30870
InChI InChI=1S/C30H44O7/c1-18-7-9-21(27(2,3)24(18)22(31)15-20-12-14-34-26(20)33)10-8-19-11-13-30(35-17-19)29(6)16-23(36-30)25(32)28(4,5)37-29/h15,19,21-24,31H,1,7-14,16-17H2,2-6H3/t19-,21-,22-,23-,24+,29-,30-/m0/s1
InChIKey VOJVJZFJUZJOOZ-MPYFTPQYSA-N
SMILES O=C1C(O[C@@]2(C)C[C@@H]1O[C@@]32OC[C@@H](CC[C@H]4C([C@H](C(=C)CC4)[C@@H](O)C=C5C(=O)OCC5)(C)C)CC3)(C)C
Metabolite of Species Details
Tricholoma terreum (NCBI:txid76328) See: PubMed
ChEBI Ontology
Outgoing Terreolide A (CHEBI:219906) is a oxacycle (CHEBI:38104)
IUPAC Name
(1S,5S,5'S,7S)-5'-[2-[(1R,3S)-3-[(1S)-1-hydroxy-2-(2-oxooxolan-3-ylidene)ethyl]-2,2-dimethyl-4-methylidenecyclohexyl]ethyl]-1,3,3-trimethylspiro[2,6-dioxabicyclo[3.2.1]octane-7,2'-oxane]-4-one
Manual Xref Database
78441178 ChemSpider
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