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CHEBI:207525 - 8-hydroxy-22-dehydroxymethylkijanolide

ChEBI IDCHEBI:207525
ChEBI Name8-hydroxy-22-dehydroxymethylkijanolide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H42O7
Net Charge0
Average Mass538.681
Monoisotopic Mass538.29305
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@](C)(O)C[C@@H]4C)C3=O
InChIInChI=1S/C32H42O7/c1-16-7-9-20-13-18(3)23(33)12-8-17(2)22-11-10-21-25(19(4)15-30(5,38)26(21)34)31(22,6)27(35)24-28(36)32(20,14-16)39-29(24)37/h7-11,13,16,19-23,25-26,33-35,38H,12,14-15H2,1-6H3/b17-8+,18-13+,27-24?/t16-,19-,20-,21-,22-,23-,25+,26+,30+,31+,32-/m0/s1
InChIKeyDDOSFKMWLJIFOX-BBQJZBOCSA-N
Species of MetaboliteComponentSourceComments
Micromonospora (ncbitaxon:1873) - PubMed (28489382)
ChEBI Ontology
Outgoing Relation(s)
8-hydroxy-22-dehydroxymethylkijanolide (CHEBI:207525) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
(1S,3R,6S,7E,9S,11E,13S,16S,17R,18R,20S,21R,22S)-9,17,18,23-tetrahydroxy-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