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CHEBI:226666 - Alterbrabetaicicene C

ChEBI IDCHEBI:226666
ChEBI NameAlterbrabetaicicene C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H28O5
Net Charge0
Average Mass360.450
Monoisotopic Mass360.19367
SMILESCOCC1=C2C(=O)[C@@]3(C)C(=O)C=C(C(C)C)[C@]34C[C@H](O)[C@H](C)[C@@]2(CC1)O4
InChIInChI=1S/C21H28O5/c1-11(2)14-8-16(23)19(4)18(24)17-13(10-25-5)6-7-20(17)12(3)15(22)9-21(14,19)26-20/h8,11-12,15,22H,6-7,9-10H2,1-5H3/t12-,15-,19+,20+,21+/m0/s1
InChIKeySPWJEDZCBUAYOI-CHUCWJQMSA-N
Species of MetaboliteComponentSourceComments
Alternaria brassicicola (ncbitaxon:29001) - PubMed (32520548)
ChEBI Ontology
Outgoing Relation(s)
Alterbrabetaicicene C (CHEBI:226666) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1R,5R,11R,12S,13S)-13-hydroxy-8-(methoxymethyl)-5,12-dimethyl-2-propan-2-yl-15-oxatetracyclo[9.3.1.01,5.07,11]pentadeca-2,7-diene-4,6-dione