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CHEBI:207707 - Cladosporitin A

ChEBI IDCHEBI:207707
ChEBI NameCladosporitin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H43NO4
Net Charge0
Average Mass505.699
Monoisotopic Mass505.31921
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)[C@H]1C(=O)NC(=O)[C@@H]1Cc1ccc(O)cc1
InChIInChI=1S/C32H43NO4/c1-7-18(2)14-20(4)26-21(5)17-32(6)16-19(3)8-13-25(32)28(26)29(35)27-24(30(36)33-31(27)37)15-22-9-11-23(34)12-10-22/h9-12,14,17-19,24-28,34H,7-8,13,15-16H2,1-6H3,(H,33,36,37)/b20-14+/t18?,19-,24-,25+,26+,27+,28+,32+/m1/s1
InChIKeyXZUHHLLNQRAXGH-VJNARVBRSA-N
Species of MetaboliteComponentSourceComments
Cladosporium (ncbitaxon:5498) - PubMed (30577517)
ChEBI Ontology
Outgoing Relation(s)
Cladosporitin A (CHEBI:207707) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(3S,4R)-3-[(1S,2S,4aR,6R,8aS)-3,4a,6-trimethyl-2-[(E)-4-methylhex-2-en-2-yl]-2,5,6,7,8,8a-hexahydro-1H-naphthalene-1-carbonyl]-4-[(4-hydroxyphenyl)methyl]pyrrolidine-2,5-dione