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CHEBI:209752 - Ansaseomycin A

ChEBI IDCHEBI:209752
ChEBI NameAnsaseomycin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H35NO8
Net Charge0
Average Mass561.631
Monoisotopic Mass561.23627
SMILESCc1c(O)c2c3c(c1O)C(=O)[C@@]14NC(=O)C[C@H]1C=C[C@@H](/C=C(\CC(C)C)C(=O)[C@@H](C)[C@H](O)/C=C/[C@@H](C)C2=O)[C@H]4C3=O
InChIInChI=1S/C32H35NO8/c1-13(2)10-18-11-17-7-8-19-12-21(35)33-32(19)25(17)30(40)22-23(28(38)16(5)29(39)24(22)31(32)41)26(36)14(3)6-9-20(34)15(4)27(18)37/h6-9,11,13-15,17,19-20,25,34,38-39H,10,12H2,1-5H3,(H,33,35)/b9-6+,18-11+/t14-,15+,17+,19-,20-,25+,32-/m1/s1
InChIKeyYOHNPDDBVKZQEA-ASHDVBNSSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (31033301)
ChEBI Ontology
Outgoing Relation(s)
Ansaseomycin A (CHEBI:209752) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name 
(1R,5S,8S,9E,12S,13R,14E,16R,25R)-13,19,21-trihydroxy-12,16,20-trimethyl-10-(2-methylpropyl)-2-azapentacyclo[20.3.1.01,5.08,25.018,23]hexacosa-6,9,14,18(23),19,21-hexaene-3,11,17,24,26-pentone
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74181498ChemSpider