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CHEBI:169581 - Asticolorin C

ChEBI IDCHEBI:169581
ChEBI NameAsticolorin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H28O9
Net Charge0
Average Mass568.578
Monoisotopic Mass568.17333
SMILES[H][C@@]12[C@@]3([H])C=C(C)C[C@]1(C)c1c(oc4cc(CO)cc(O)c14)C(=O)[C@@]2(O)Oc1cc2oc4cc(CO)cc(O)c4c2c(C)c13
InChIInChI=1S/C33H28O9/c1-13-4-17-24-14(2)25-22(40-20-7-15(11-34)5-18(36)26(20)25)9-23(24)42-33(39)30(17)32(3,10-13)28-27-19(37)6-16(12-35)8-21(27)41-29(28)31(33)38/h4-9,17,30,34-37,39H,10-12H2,1-3H3/t17-,30+,32+,33-/m0/s1
InChIKeyXVQCWVVYGNETPD-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 C (CHEBI:169581) is a xanthenes (CHEBI:38835)
IUPAC Name 
(1R,16S,27S,31R)-6,16,24-trihydroxy-8,22-bis(hydroxymethyl)-3,27,29-trimethyl-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