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CHEBI:227884 - Engyodontochone D

Default Structure
ChEBI IDCHEBI:227884
ChEBI NameEngyodontochone D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H28O12
Net Charge0
Average Mass616.575
Monoisotopic Mass616.15808
SMILESCOC(=O)[C@@]1(C2CCC(=O)O2)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/C33H28O12/c1-13-10-32-11-15-9-18(36)25-19(37)12-33(31(41)42-3,20-7-8-21(38)44-20)45-29(25)23(15)22(13)27(39)26(32)28(40)24-16(5-4-6-17(24)35)30(32)43-14(2)34/h4-6,9-10,20,22,30,35-36,40H,7-8,11-12H2,1-3H3/t20?,22-,30-,32-,33-/m0/s1
InChIKeyHTGSJXGPMUTHHQ-ZBXGVZEWSA-N
Species of MetaboliteComponentSourceComments
Engyodontium (ncbitaxon:73873) - PubMed (27098103)
ChEBI Ontology
Outgoing Relation(s)
Engyodontochone D (CHEBI:227884) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
methyl (1R,9S,13S,23S)-23-acetyloxy-5,16,18-trihydroxy-25-methyl-7,14-dioxo-9-(5-oxooxolan-2-yl)-10-oxahexacyclo[11.10.2.01,15.03,12.06,11.017,22]pentacosa-3,5,11,15,17(22),18,20,24-octaene-9-carboxylate