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CHEBI:227768 - Mangiterpene C

ChEBI IDCHEBI:227768
ChEBI NameMangiterpene C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H32O6
Net Charge0
Average Mass392.492
Monoisotopic Mass392.21989
SMILESCO[C@H]1C[C@@H](O)C(=O)[C@@]2(C[C@H]3C(=C(C)[C@@H]2/C=C/C(C)(C)O)CC[C@@]3(C)O)C1=O
InChIInChI=1S/C22H32O6/c1-12-13-6-9-21(4,27)15(13)11-22(14(12)7-8-20(2,3)26)18(24)16(23)10-17(28-5)19(22)25/h7-8,14-17,23,26-27H,6,9-11H2,1-5H3/b8-7+/t14-,15-,16+,17-,21+,22-/m0/s1
InChIKeyLBWRINOPVWWCON-ZRPWVGODSA-N
Species of MetaboliteComponentSourceComments
Phyllosticta capitalensis (ncbitaxon:121624) - PubMed (31185420)
ChEBI Ontology
Outgoing Relation(s)
Mangiterpene C (CHEBI:227768) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(3R,3aS,4'R,5S,6S,6'S)-3,4'-dihydroxy-6-[(E)-3-hydroxy-3-methylbut-1-enyl]-6'-methoxy-3,7-dimethylspiro[2,3a,4,6-tetrahydro-1H-indene-5,2'-cyclohexane]-1',3'-dione