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CHEBI:219360 - Brabetaicicene M

ChEBI IDCHEBI:219360
ChEBI NameBrabetaicicene M
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H32O6
Net Charge0
Average Mass380.481
Monoisotopic Mass380.21989
SMILESCOC[C@@]1(O)CC[C@@H]2C1=C[C@@]1(O)C(=O)C(C(C)C)=C(C[C@H](O)[C@@H]2C)[C@@]1(C)O
InChIInChI=1S/C21H32O6/c1-11(2)17-14-8-16(22)12(3)13-6-7-20(25,10-27-5)15(13)9-21(26,18(17)23)19(14,4)24/h9,11-13,16,22,24-26H,6-8,10H2,1-5H3/t12-,13+,16+,19-,20+,21-/m1/s1
InChIKeySCXDJHIKHQFLRG-YTGIDCIRSA-N
ChEBI Ontology
Outgoing Relation(s)
Brabetaicicene M (CHEBI:219360) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(1S,4R,7S,8R,9S,14R)-1,4,9,14-tetrahydroxy-4-(methoxymethyl)-8,14-dimethyl-12-propan-2-yltricyclo[9.2.1.03,7]tetradeca-2,11-dien-13-one