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CHEBI:216054 - 3-hydroxy-dihydropleurotinic acid

ChEBI IDCHEBI:216054
ChEBI Name3-hydroxy-dihydropleurotinic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H24O6
Net Charge0
Average Mass372.417
Monoisotopic Mass372.15729
SMILESC[C@H]1CO[C@@H]2C3=C(C[C@H]4[C@H](C(=O)O)CC[C@@H]5[C@@]1(O)CC[C@]254)C(=O)C=CC3=O
InChIInChI=1S/C21H24O6/c1-10-9-27-18-17-12(14(22)3-4-15(17)23)8-13-11(19(24)25)2-5-16-20(13,18)6-7-21(10,16)26/h3-4,10-11,13,16,18,26H,2,5-9H2,1H3,(H,24,25)/t10-,11+,13-,16-,18+,20+,21+/m0/s1
InChIKeyCVALYSHQGNNHOX-HRNDHEOUSA-N
Species of MetaboliteComponentSourceComments
Hohenbuehelia (ncbitaxon:71886) - PubMed (30347707)
ChEBI Ontology
Outgoing Relation(s)
3-hydroxy-dihydropleurotinic acid (CHEBI:216054) is a anthracenes (CHEBI:46955)
IUPAC Name 
(1R,2S,5R,6S,14S,17S,18S)-18-hydroxy-17-methyl-9,12-dioxo-15-oxapentacyclo[12.6.0.01,6.02,18.08,13]icosa-8(13),10-diene-5-carboxylic acid