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CHEBI:208261 - Asperphenalenone B

ChEBI IDCHEBI:208261
ChEBI NameAsperphenalenone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H44O10
Net Charge0
Average Mass624.727
Monoisotopic Mass624.29345
SMILESC/C(=C\CC/C(C)=C/C[C@]1(O)C(=O)c2c(O)cc(C)c3c(O)c(C)c(O)c(c23)C1=O)CC/C=C(\CC[C@@H](O)C(C)(C)O)C(=O)O
InChIInChI=1S/C35H44O10/c1-18(11-8-12-22(33(42)43)13-14-24(37)34(5,6)44)9-7-10-19(2)15-16-35(45)31(40)26-23(36)17-20(3)25-27(26)28(32(35)41)30(39)21(4)29(25)38/h9,12,15,17,24,36-39,44-45H,7-8,10-11,13-14,16H2,1-6H3,(H,42,43)/b18-9+,19-15+,22-12+/t24-,35+/m1/s1
InChIKeyUYNRJJLNBXUXOO-OMEUIHBWSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (29016131)
ChEBI Ontology
Outgoing Relation(s)
Asperphenalenone B (CHEBI:208261) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(2E,6E,10E)-2-[(3R)-3,4-dihydroxy-4-methylpentyl]-6,10-dimethyl-12-[(2S)-2,4,6,9-tetrahydroxy-5,7-dimethyl-1,3-dioxophenalen-2-yl]dodeca-2,6,10-trienoic acid
Manual XrefsDatabases
78441670ChemSpider