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CHEBI:233195 - chrexanthomycin B

Default Structure
ChEBI IDCHEBI:233195
ChEBI Namechrexanthomycin B
Stars
SubmitterFlyBase
DownloadsMolfile
FormulaC32H26O14
Net Charge0
Average Mass634.546
Monoisotopic Mass634.13226
SMILES[H][C@@]1(Oc2cccc3c(=O)c4c(O)c5c(c(OC)c4oc23)CCc2cc(CC(C)=O)c(C(=O)O)c(O)c2-5)OC(C(=O)O)=C[C@]([H])(O)[C@@]1([H])O
InChIInChI=1S/C32H26O14/c1-11(33)8-13-9-12-6-7-14-21(19(12)25(37)20(13)31(41)42)26(38)22-23(35)15-4-3-5-17(27(15)46-29(22)28(14)43-2)44-32-24(36)16(34)10-18(45-32)30(39)40/h3-5,9-10,16,24,32,34,36-38H,6-8H2,1-2H3,(H,39,40)(H,41,42)/t16-,24+,32+/m0/s1
InChIKeyJJJLMJMEGPSSEK-UERWNWBVSA-N
Species of MetaboliteComponentSourceComments
Streptomyces chrestomyceticus (ncbitaxon:68185) - PubMed (36226410)
ChEBI Ontology
Outgoing Relation(s)
chrexanthomycin B (CHEBI:233195) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
9-[[(2R,3R,4S)-6-carboxy-3,4-dihydroxy-3,4-dihydro-2H-pyran-2-yl]oxy]-1,14-dihydroxy-7-methoxy-13-oxo-3-(2-oxopropyl)-5,6-dihydronaphtho[1,2-b]xanthene-2-carboxylic acid
Citations