EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:219002 - Crisamicin A

ChEBI IDCHEBI:219002
ChEBI NameCrisamicin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H22O12
Net Charge0
Average Mass598.516
Monoisotopic Mass598.11113
SMILESCC1OC2CC(=O)OC2C2=C1C(=O)c1cc(-c3cc(O)c4c(c3)C(=O)C3=C(C4=O)C4OC(=O)CC4OC3C)cc(O)c1C2=O
InChIInChI=1S/C32H22O12/c1-9-21-25(31-17(41-9)7-19(35)43-31)29(39)23-13(27(21)37)3-11(5-15(23)33)12-4-14-24(16(34)6-12)30(40)26-22(28(14)38)10(2)42-18-8-20(36)44-32(18)26/h3-6,9-10,17-18,31-34H,7-8H2,1-2H3
InChIKeyIPAXVRZEFNMCLP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Micromonospora purpureochromogenes (ncbitaxon:47872) - PubMed (3754547)
ChEBI Ontology
Outgoing Relation(s)
Crisamicin A (CHEBI:219002) is a lactone (CHEBI:25000)
Crisamicin A (CHEBI:219002) is a lignan (CHEBI:25036)
IUPAC Name 
7-hydroxy-5-(7-hydroxy-17-methyl-2,9,13-trioxo-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6-tetraen-5-yl)-17-methyl-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6-tetraene-2,9,13-trione
Manual XrefsDatabases
302855ChemSpider