EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:198502 - Hypocrellin B

ChEBI IDCHEBI:198502
ChEBI NameHypocrellin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H24O9
Net Charge0
Average Mass528.513
Monoisotopic Mass528.14203
SMILESCOc1c(O)c2c(=O)cc(OC)c3c4c(OC)cc(=O)c5c(O)c(OC)c6c(c(c1CC(C)=C6C(C)=O)c23)c54
InChIInChI=1S/C30H24O9/c1-10-7-12-18-23-19(27(34)29(12)38-5)13(32)8-15(36-3)21(23)22-16(37-4)9-14(33)20-25(22)24(18)26(17(10)11(2)31)30(39-6)28(20)35/h8-9,34-35H,7H2,1-6H3
InChIKeySBMXTMAIKRQSQE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Shiraia bambusicola (ncbitaxon:224420) - PubMed (1775581)
ChEBI Ontology
Outgoing Relation(s)
Hypocrellin B (CHEBI:198502) is a naphthalenone (CHEBI:25479)
IUPAC Name 
12-acetyl-9,17-dihydroxy-5,10,16,21-tetramethoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),2(11),3(8),4(22),5,9,12,16,18(23),20-decaene-7,19-dione
Manual XrefsDatabases
882675ChemSpider