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CHEBI:207084 - Arthrobotrisin B 7-acetonide

ChEBI IDCHEBI:207084
ChEBI NameArthrobotrisin B 7-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(COC(C)(C)O)=C[C@@H]2O
InChIInChI=1S/C25H40O7/c1-15(2)8-7-9-16(3)10-11-19(26)17(4)12-20(27)25-21(28)13-18(14-31-24(5,6)30)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
InChIKeyLSOVWSBHUNXAGK-IXVFBZSVSA-N
Species of MetaboliteComponentSourceComments
Orbilia oligospora (ncbitaxon:2813651) - PubMed (31738551)
ChEBI Ontology
Outgoing Relation(s)
Arthrobotrisin B 7-acetonide (CHEBI:207084) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1R,2S,5R,6S)-1-[(1S,2E,4S,6E)-1,4-dihydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl]-4-(2-hydroxypropan-2-yloxymethyl)-7-oxabicyclo[4.1.0]hept-3-ene-2,5-diol