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CHEBI:220231 - Hibarimicinone

ChEBI IDCHEBI:220231
ChEBI NameHibarimicinone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H48O21
Net Charge0
Average Mass924.858
Monoisotopic Mass924.26881
SMILESCCCC12O[C@H]3c4c(O)c5c(c(O)c4C(=O)[C@]1(O)[C@H]3[C@H](O)[C@@H](O)[C@@H]2O)C(=O)C(c1c(OC)c(OC)c2cc3c(c(O)c2c1O)C(=O)[C@]1(O)[C@H](C3)[C@H](O)[C@@H](O)[C@H](O)[C@@]1(O)CCC)=C(OC)C5=O
InChIInChI=1S/C45H48O21/c1-6-8-42(60)40(58)32(54)24(46)14-11-12-10-13-16(25(47)15(12)38(56)44(14,42)61)26(48)20(37(65-5)34(13)63-3)19-27(49)17-18(30(52)36(19)64-4)28(50)21-22(29(17)51)39(57)45(62)23-31(53)33(55)41(59)43(45,9-7-2)66-35(21)23/h10,14,23-24,31-33,35,40-41,46-48,50-51,53-55,58-62H,6-9,11H2,1-5H3/t14-,23+,24+,31+,32-,33-,35+,40+,41+,42+,43?,44-,45-/m1/s1
InChIKeySSVUTDACAKUVQH-HAYJQOOLSA-N
Species of MetaboliteComponentSourceComments
Microbispora (ncbitaxon:2005) - PubMed (12014442)
ChEBI Ontology
Outgoing Relation(s)
Hibarimicinone (CHEBI:220231) is a anthraquinone (CHEBI:22580)
IUPAC Name 
(2R,5S,6R,7S,8S,9S)-15-[(6aR,7S,8R,9S,10S,10aS)-1,7,8,9,10,10a,12-heptahydroxy-3,4-dimethoxy-11-oxo-10-propyl-6a,7,8,9-tetrahydro-6H-tetracen-2-yl]-5,6,7,9,12,19-hexahydroxy-16-methoxy-4-propyl-3-oxapentacyclo[9.8.0.02,8.04,9.013,18]nonadeca-1(11),12,15,18-tetraene-10,14,17-trione
Manual XrefsDatabases
78438732ChemSpider