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CHEBI:205207 - (+)-rugulosin A

ChEBI IDCHEBI:205207
ChEBI Name(+)-rugulosin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H22O10
Net Charge0
Average Mass542.496
Monoisotopic Mass542.12130
SMILESCc1cc(O)c2c(c1)C(=O)C13C(=C2O)C(=O)C2[C@@H](O)C1C1[C@H](O)C3C(=O)C3=C(O)c4c(O)cc(C)cc4C(=O)C321
InChIInChI=1S/C30H22O10/c1-7-3-9-13(11(31)5-7)21(33)17-25(37)20-23(35)15-16-24(36)19(29(15,17)27(9)39)26(38)18-22(34)14-10(28(40)30(16,18)20)4-8(2)6-12(14)32/h3-6,15-16,19-20,23-24,31-36H,1-2H3/t15?,16?,19?,20?,23-,24-,29?,30?/m0/s1
InChIKeyQFDPVUTXKUGISP-OFUQQYEPSA-N
Species of MetaboliteComponentSourceComments
Chrysoporthe (ncbitaxon:305399) - PubMed (25873318)
ChEBI Ontology
Outgoing Relation(s)
(+)-rugulosin A (CHEBI:205207) is a naphthols (CHEBI:25392)
IUPAC Name 
(14S,28S)-8,10,14,23,25,28-hexahydroxy-6,21-dimethyloctacyclo[14.11.1.02,11.02,15.04,9.013,17.017,26.019,24]octacosa-4(9),5,7,10,19(24),20,22,25-octaene-3,12,18,27-tetrone
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4572424ChemSpider