CHEBI:227763 - Mangiterpene B

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 Mangiterpene B
ChEBI ID CHEBI:227763
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H30O6
Net Charge 0
Average Mass 390.476
Monoisotopic Mass 390.20424
InChI InChI=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/h7,14-17,24-26H,5-6,8-10H2,1-4H3/t14-,15+,16-,17+,19+,20+,21+,22-/m0/s1
InChIKey IKQAEOLMNHBXGS-INBJPEEBSA-N
SMILES O=C1[C@]23[C@](O[C@@H]([C@H]2C(=C4CC[C@]([C@H]4C3)(O)C)C)C=C(C)C)(O)[C@@H]5C[C@@]1(O)CO5
Metabolite of Species Details
Phyllosticta capitalensis (NCBI:txid121624) See: PubMed
ChEBI Ontology
Outgoing Mangiterpene B (CHEBI:227763) is a prostanoid (CHEBI:26347)
IUPAC Name
(1S,2R,4R,5S,10R,11S,13R,15R)-2,10,15-trihydroxy-6,10-dimethyl-4-(2-methylprop-1-enyl)-3,17-dioxapentacyclo[13.2.1.02,13.05,13.07,11]octadec-6-en-14-one