EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:190056 - Gossypurpurin

ChEBI IDCHEBI:190056
ChEBI NameGossypurpurin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC60H56N2O13
Net Charge0
Average Mass1013.109
Monoisotopic Mass1012.37824
SMILESCc1cc2c(C(C)C)c(O)c(O)c(C=N)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(=O)c3c4nc(oc1c2-3)c1c(=O)c(O)c(C(C)C)c2cc(C)c(-c3c(C)cc5c(C(C)C)c(O)c(O)c(C=O)c5c3O)c(o4)c2-1
InChIInChI=1S/C60H56N2O13/c1-19(2)33-27-13-23(9)37(49(66)41(27)31(17-61)47(64)51(33)68)39-25(11)15-29-35(21(5)6)53(70)55(72)45-43(29)57(39)74-59-46-44-30(36(22(7)8)54(71)56(46)73)16-26(12)40(58(44)75-60(45)62-59)38-24(10)14-28-34(20(3)4)52(69)48(65)32(18-63)42(28)50(38)67/h13-22,61-62,64-71H,1-12H3
InChIKeyUGHAANNLJNAXPH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Brassica napus (ncbitaxon:3708) flower (BTO:0000469) MetaboLights (MTBLS3950)
ChEBI Ontology
Outgoing Relation(s)
Gossypurpurin (CHEBI:190056) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
7-[4,15-dihydroxy-8,19-dimethyl-3,14-dioxo-5,16-di(propan-2-yl)-20-(1,6,7-trihydroxy-8-methanimidoyl-3-methyl-5-propan-2-ylnaphthalen-2-yl)-11,22-dioxa-23-azahexacyclo[10.10.1.12,6.113,17.010,25.021,24]pentacosa-1,4,6(25),7,9,12,15,17(24),18,20-decaen-9-yl]-2,3,8-trihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde
Manual XrefsDatabases
21251472ChemSpider
HMDB0040913HMDB
Registry NumbersSources
CAS:21891-57-6ChemIDplus