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CHEBI:227889 - Engyodontochone E

ChEBI IDCHEBI:227889
ChEBI NameEngyodontochone E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H30O13
Net Charge0
Average Mass634.590
Monoisotopic Mass634.16864
SMILESCOC(=O)[C@@]1(C(O)CCC(=O)O)CC(=O)c2c(O)cc3c(c2O1)[C@H]1C(=O)C2=C(O)c4c(O)cccc4[C@H](OC(C)=O)[C@@]2(C=C1C)C3
InChIInChI=1S/C33H30O13/c1-13-10-32-11-15-9-18(36)25-19(37)12-33(31(43)44-3,20(38)7-8-21(39)40)46-29(25)23(15)22(13)27(41)26(32)28(42)24-16(5-4-6-17(24)35)30(32)45-14(2)34/h4-6,9-10,20,22,30,35-36,38,42H,7-8,11-12H2,1-3H3,(H,39,40)/t20?,22-,30-,32-,33-/m0/s1
InChIKeyXJOGORFZWPNKFH-ZBXGVZEWSA-N
Species of MetaboliteComponentSourceComments
Engyodontium (ncbitaxon:73873) - PubMed (27098103)
ChEBI Ontology
Outgoing Relation(s)
Engyodontochone E (CHEBI:227889) is a chromones (CHEBI:23238)
IUPAC Name 
4-[(1R,9S,13S,23S)-23-acetyloxy-5,16,18-trihydroxy-9-methoxycarbonyl-25-methyl-7,14-dioxo-10-oxahexacyclo[11.10.2.01,15.03,12.06,11.017,22]pentacosa-3,5,11,15,17(22),18,20,24-octaen-9-yl]-4-hydroxybutanoic acid