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CHEBI:207518 - 22-dehydroxymethyl-kijanolide

ChEBI IDCHEBI:207518
ChEBI Name22-dehydroxymethyl-kijanolide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H42O6
Net Charge0
Average Mass522.682
Monoisotopic Mass522.29814
SMILESC/C1=C\[C@@H]2C=C[C@H](C)C[C@]23OC(=O)C(=C(O)[C@@]2(C)[C@H]4[C@H](C=C[C@H]2/C(C)=C/C[C@@H]1O)[C@@H](O)[C@@H](C)C[C@@H]4C)C3=O
InChIInChI=1S/C32H42O6/c1-16-7-9-21-14-18(3)24(33)12-8-17(2)23-11-10-22-26(19(4)13-20(5)27(22)34)31(23,6)28(35)25-29(36)32(21,15-16)38-30(25)37/h7-11,14,16,19-24,26-27,33-35H,12-13,15H2,1-6H3/b17-8+,18-14+,28-25?/t16-,19-,20-,21-,22-,23-,24-,26+,27-,31+,32-/m0/s1
InChIKeyOKJZPOMSUURQNQ-DBFCXTANSA-N
Species of MetaboliteComponentSourceComments
Micromonospora (ncbitaxon:1873) - PubMed (28489382)
ChEBI Ontology
Outgoing Relation(s)
22-dehydroxymethyl-kijanolide (CHEBI:207518) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
(1S,3R,6S,7E,9S,11E,13S,16S,17S,18S,20S,21R,22S)-9,17,23-trihydroxy-3,8,12,18,20,22-hexamethyl-26-oxapentacyclo[22.2.1.01,6.013,22.016,21]heptacosa-4,7,11,14,23-pentaene-25,27-dione