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CHEBI:216262 - Tricycloalternarene 14b

ChEBI IDCHEBI:216262
ChEBI NameTricycloalternarene 14b
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H30O4
Net Charge0
Average Mass346.467
Monoisotopic Mass346.21441
SMILESC[C@@H](C/C=C/C(C)(C)O)C1=CC[C@]2(C)OC3=C(C[C@H]12)C(=O)[C@H](O)CC3
InChIInChI=1S/C21H30O4/c1-13(6-5-10-20(2,3)24)14-9-11-21(4)16(14)12-15-18(25-21)8-7-17(22)19(15)23/h5,9-10,13,16-17,22,24H,6-8,11-12H2,1-4H3/b10-5+/t13-,16+,17+,21-/m0/s1
InChIKeyUGVHYWGUKVKPFV-QORLPBKTSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (29642523)
ChEBI Ontology
Outgoing Relation(s)
Tricycloalternarene 14b (CHEBI:216262) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(3aS,7R,9aR)-7-hydroxy-1-[(E,2S)-6-hydroxy-6-methylhept-4-en-2-yl]-3a-methyl-3,5,6,7,9,9a-hexahydrocyclopenta[b]chromen-8-one