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CHEBI:227874 - Engyodontochone B

ChEBI IDCHEBI:227874
ChEBI NameEngyodontochone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H28O12
Net Charge0
Average Mass616.575
Monoisotopic Mass616.15808
SMILESCOC(=O)[C@]12Oc3c(c(O)cc4c3[C@H]3C(=O)C5=C(O)c6c(O)cccc6[C@H](OC(C)=O)[C@@]5(C=C3C)C4)C(O)=C1C(=O)CC[C@H]2O
InChIInChI=1S/C33H28O12/c1-12-10-32-11-14-9-18(37)23-28(41)24-17(36)7-8-19(38)33(24,31(42)43-3)45-29(23)21(14)20(12)26(39)25(32)27(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-/m1/s1
InChIKeyBATMJZMIRHWKMR-FWBHXZNKSA-N
Species of MetaboliteComponentSourceComments
Engyodontium (ncbitaxon:73873) - PubMed (27098103)
ChEBI Ontology
Outgoing Relation(s)
Engyodontochone B (CHEBI:227874) is a diterpenoid (CHEBI:23849)
IUPAC Name 
methyl (1R,12R,13S,17S,27S)-27-acetyloxy-5,7,12,20,22-pentahydroxy-29-methyl-9,18-dioxo-14-oxaheptacyclo[15.10.2.01,19.03,16.06,15.08,13.021,26]nonacosa-3,5,7,15,19,21(26),22,24,28-nonaene-13-carboxylate