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CHEBI:202805 - Hymenopsin B

ChEBI IDCHEBI:202805
ChEBI NameHymenopsin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H30O6
Net Charge0
Average Mass390.476
Monoisotopic Mass390.20424
SMILESC[C@@]1(CO)CCC[C@]2(C)[C@H]3C[C@@]45O[C@@H]4C(=O)[C@]4(CO)O[C@@H]4[C@]5(O)CC3=CC[C@@H]12
InChIInChI=1S/C22H30O6/c1-18(10-23)6-3-7-19(2)13-9-22-16(27-22)15(25)20(11-24)17(28-20)21(22,26)8-12(13)4-5-14(18)19/h4,13-14,16-17,23-24,26H,3,5-11H2,1-2H3/t13-,14-,16+,17-,18-,19+,20-,21+,22+/m0/s1
InChIKeyKBWXJBCGMHNWPD-KPXXVMRZSA-N
Species of MetaboliteComponentSourceComments
Myrotheciumspecies SC0265 (ncbitaxon:1539900) - PubMed (25089733)
ChEBI Ontology
Outgoing Relation(s)
Hymenopsin B (CHEBI:202805) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1S,3R,5S,7R,9R,10R,15R,16R,20R)-10-hydroxy-7,16-bis(hydroxymethyl)-16,20-dimethyl-4,8-dioxahexacyclo[10.8.0.03,5.03,10.07,9.015,20]icos-12-en-6-one
Manual XrefsDatabases
24661412ChemSpider