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CHEBI:227757 - Mangiterpene A

ChEBI IDCHEBI:227757
ChEBI NameMangiterpene A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H30O6
Net Charge0
Average Mass390.476
Monoisotopic Mass390.20424
SMILESC=C1[C@@H]2[C@@H](C=C(C)C)O[C@@]3(O)[C@@H]4C[C@@](O)(CO4)C(=O)[C@@]23C[C@H]2[C@H]1CC[C@@]2(C)O
InChIInChI=1S/C22H30O6/c1-11(2)7-15-17-12(3)13-5-6-19(4,24)14(13)8-21(17)18(23)20(25)9-16(27-10-20)22(21,26)28-15/h7,13-17,24-26H,3,5-6,8-10H2,1-2,4H3/t13-,14-,15+,16-,17+,19+,20+,21+,22-/m0/s1
InChIKeyZXDDQDRWZPTJAA-MYIZHNDYSA-N
Species of MetaboliteComponentSourceComments
Phyllosticta capitalensis (ncbitaxon:121624) - PubMed (31185420)
ChEBI Ontology
Outgoing Relation(s)
Mangiterpene A (CHEBI:227757) is a prostanoid (CHEBI:26347)
IUPAC Name 
(1S,2R,4R,5S,7R,10R,11S,13R,15R)-2,10,15-trihydroxy-10-methyl-6-methylidene-4-(2-methylprop-1-enyl)-3,17-dioxapentacyclo[13.2.1.02,13.05,13.07,11]octadecan-14-one