EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:207090 - Arthrobotrisin B 1'-acetonide

ChEBI IDCHEBI:207090
ChEBI NameArthrobotrisin B 1'-acetonide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H40O7
Net Charge0
Average Mass452.588
Monoisotopic Mass452.27740
SMILESCC(C)=CCC/C(C)=C/C[C@H](O)/C(C)=C/[C@H](O)[C@]12O[C@H]1[C@H](O)C(CO)=C[C@@H]2OC(C)(C)O
InChIInChI=1S/C25H40O7/c1-15(2)8-7-9-16(3)10-11-19(27)17(4)12-20(28)25-21(31-24(5,6)30)13-18(14-26)22(29)23(25)32-25/h8,10,12-13,19-23,26-30H,7,9,11,14H2,1-6H3/b16-10+,17-12+/t19-,20-,21-,22+,23-,25+/m0/s1
InChIKeyUUTUISPLBSVWAV-IXVFBZSVSA-N
Species of MetaboliteComponentSourceComments
Orbilia oligospora (ncbitaxon:2813651) - PubMed (31738551)
ChEBI Ontology
Outgoing Relation(s)
Arthrobotrisin B 1'-acetonide (CHEBI:207090) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1S,2E,4S,6E)-1-[(1R,2S,5R,6S)-5-hydroxy-4-(hydroxymethyl)-2-(2-hydroxypropan-2-yloxy)-7-oxabicyclo[4.1.0]hept-3-en-1-yl]-3,7,11-trimethyldodeca-2,6,10-triene-1,4-diol