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CHEBI:209758 - Ansaseomycin B

ChEBI IDCHEBI:209758
ChEBI NameAnsaseomycin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H35NO8
Net Charge0
Average Mass561.631
Monoisotopic Mass561.23627
SMILESC/C1=C\C[C@@H](O)[C@H](C)C(=O)/C(CC(C)C)=C/[C@@H]2C=C[C@@H]3CC(=O)N[C@]34C(=O)c3c(O)c(C)c(O)c(c3C(=O)[C@H]24)C1=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/h6-8,11,13,15,17,19-20,25,34,38-39H,9-10,12H2,1-5H3,(H,33,35)/b14-6+,18-11+/t15-,17-,19+,20+,25-,32+/m0/s1
InChIKeyAJWGGFMULPXHBT-XUXDUDAXSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (31033301)
ChEBI Ontology
Outgoing Relation(s)
Ansaseomycin B (CHEBI:209758) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name 
(1R,5S,8S,9E,12S,13R,15E,25R)-13,19,21-trihydroxy-12,16,20-trimethyl-10-(2-methylpropyl)-2-azapentacyclo[20.3.1.01,5.08,25.018,23]hexacosa-6,9,15,18(23),19,21-hexaene-3,11,17,24,26-pentone
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74181499ChemSpider