CHEBI:207084 - Arthrobotrisin B 7-acetonide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Arthrobotrisin B 7-acetonide
ChEBI ID CHEBI:207084
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H40O7
Net Charge 0
Average Mass 452.588
Monoisotopic Mass 452.27740
InChI InChI=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
InChIKey LSOVWSBHUNXAGK-IXVFBZSVSA-N
SMILES O1[C@@]2([C@@H](O)C=C([C@H]([C@H]12)O)COC(O)(C)C)[C@@H](O)/C=C(/[C@@H](O)C/C=C(/CCC=C(C)C)\C)\C
Metabolite of Species Details
Orbilia oligospora (NCBI:txid2813651) See: PubMed
ChEBI Ontology
Outgoing 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