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CHEBI:225681 - Talaroconvolutin D

ChEBI IDCHEBI:225681
ChEBI NameTalaroconvolutin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H49NO5
Net Charge0
Average Mass563.779
Monoisotopic Mass563.36107
SMILESCCC(C)/C=C(\C)[C@H]1C(C)=C[C@@]2(C)C[C@@H](C)CC[C@@H]2[C@H]1C(=O)C1C(=O)NC2(Cc3ccc(O)cc3)OC(C)(C)OC12
InChIInChI=1S/C35H49NO5/c1-9-20(2)16-22(4)27-23(5)18-34(8)17-21(3)10-15-26(34)28(27)30(38)29-31-35(36-32(29)39,41-33(6,7)40-31)19-24-11-13-25(37)14-12-24/h11-14,16,18,20-21,26-29,31,37H,9-10,15,17,19H2,1-8H3,(H,36,39)/b22-16+/t20?,21-,26+,27-,28+,29?,31?,34+,35?/m0/s1
InChIKeyQHDBOFOXZOOICM-ZSXAJSSESA-N
Species of MetaboliteComponentSourceComments
Talaromyces convolutus (ncbitaxon:1131474) - PubMed (10869198)
ChEBI Ontology
Outgoing Relation(s)
Talaroconvolutin D (CHEBI:225681) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
6-[(1R,2S,4aS,6S,8aR)-3,4a,6-trimethyl-2-[(E)-4-methylhex-2-en-2-yl]-2,5,6,7,8,8a-hexahydro-1H-naphthalene-1-carbonyl]-3a-[(4-hydroxyphenyl)methyl]-2,2-dimethyl-6,6a-dihydro-4H-[1,3]dioxolo[4,5-b]pyrrol-5-one
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8992064ChemSpider