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CHEBI:198823 - JBIR-97

ChEBI IDCHEBI:198823
ChEBI NameJBIR-97
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FormulaC33H28O12
Net Charge0
Average Mass616.575
Monoisotopic Mass616.15808
SMILESCOC(=O)C12Oc3cc4c(c(O)c3C(O)=C1C(=O)CCC2O)[C@H]1C(=O)C2=C(O)c3c(O)cccc3C(OC(C)=O)C2(C=C1C)C4
InChIInChI=1S/C33H28O12/c1-12-10-32-11-14-9-18-23(29(41)24-17(36)7-8-19(37)33(24,45-18)31(42)43-3)26(38)21(14)20(12)27(39)25(32)28(40)22-15(5-4-6-16(22)35)30(32)44-13(2)34/h4-6,9-10,19-20,30,35,37-38,40-41H,7-8,11H2,1-3H3/t19?,20-,30?,32?,33?/m0/s1
InChIKeyXJLSYLMIJJHRIP-NWNXXEBJSA-N
Species of MetaboliteComponentSourceComments
Tritirachiumspecies (ncbitaxon:2047648) - PubMed (20683450)
ChEBI Ontology
Outgoing Relation(s)
JBIR-97 (CHEBI:198823) is a xanthenes (CHEBI:38835)
IUPAC Name 
methyl (17S)-27-acetyloxy-8,13,15,20,22-pentahydroxy-29-methyl-11,18-dioxo-6-oxaheptacyclo[15.10.2.01,19.03,16.05,14.07,12.021,26]nonacosa-3,5(14),12,15,19,21(26),22,24,28-nonaene-7-carboxylate
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78445631ChemSpider