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CHEBI:169237 - Asticolorin B

ChEBI IDCHEBI:169237
ChEBI NameAsticolorin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H28O7
Net Charge0
Average Mass536.580
Monoisotopic Mass536.18350
SMILES[H][C@@]12[C@@]3([H])C=C(C)C[C@]1(C)c1c(oc4cc(C)cc(O)c14)C(=O)[C@@]2(O)Oc1cc2oc4cc(C)cc(O)c4c2c(C)c13
InChIInChI=1S/C33H28O7/c1-13-7-18(34)26-20(9-13)38-22-11-23-24(16(4)25(22)26)17-6-15(3)12-32(5)28-27-19(35)8-14(2)10-21(27)39-29(28)31(36)33(37,40-23)30(17)32/h6-11,17,30,34-35,37H,12H2,1-5H3/t17-,30+,32+,33-/m0/s1
InChIKeyQPGYUCLUVQROTF-AYBPZWEFSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Asticolorin B (CHEBI:169237) is a xanthenes (CHEBI:38835)
IUPAC Name 
(1R,16S,27S,31R)-6,16,24-trihydroxy-3,8,22,27,29-pentamethyl-11,15,19-trioxaoctacyclo[14.14.1.02,14.04,12.05,10.018,26.020,25.027,31]hentriaconta-2(14),3,5,7,9,12,18(26),20,22,24,29-undecaen-17-one