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CHEBI:207078 - Arthrobotrisin D

ChEBI IDCHEBI:207078
ChEBI NameArthrobotrisin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H36O7
Net Charge0
Average Mass412.523
Monoisotopic Mass412.24610
SMILESCC(C)=CCC/C(C)=C/C[C@H](O)/C(C)=C/[C@H](O)[C@@]1(O)[C@@H](O)C=C(CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C22H36O7/c1-13(2)6-5-7-14(3)8-9-17(24)15(4)10-18(25)22(29)19(26)11-16(12-23)20(27)21(22)28/h6,8,10-11,17-21,23-29H,5,7,9,12H2,1-4H3/b14-8+,15-10+/t17-,18-,19-,20+,21-,22+/m0/s1
InChIKeyJBQQKZYFWZIQDY-XMCVGHNMSA-N
Species of MetaboliteComponentSourceComments
Orbilia oligospora (ncbitaxon:2813651) - PubMed (31738551)
ChEBI Ontology
Outgoing Relation(s)
Arthrobotrisin D (CHEBI:207078) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1S,2R,3S,4R)-2-[(1S,2E,4S,6E)-1,4-dihydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl]-5-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol