CHEBI:181679 - 3,4,8,14,15-Pentahydroxy-2,13,16-trimethyl-6-methylidene-10-oxatetracyclo[7.6.1.02,7.012,16]hexadecan-11-one

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ChEBI Name 3,4,8,14,15-Pentahydroxy-2,13,16-trimethyl-6-methylidene-10-oxatetracyclo[7.6.1.02,7.012,16]hexadecan-11-one
ChEBI ID CHEBI:181679
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H28O7
Net Charge 0
Average Mass 368.426
Monoisotopic Mass 368.18350
InChI InChI=1S/C19H28O7/c1-6-5-8(20)15(24)18(3)9(6)12(22)16-19(4)10(17(25)26-16)7(2)11(21)13(23)14(18)19/h7-16,20-24H,1,5H2,2-4H3
InChIKey YEMMVDQCVABATJ-UHFFFAOYSA-N
SMILES O1C2C3(C(C4(C(C2O)C(CC(O)C4O)=C)C)C(O)C(O)C(C3C1=O)C)C
ChEBI Ontology
Outgoing 3,4,8,14,15-Pentahydroxy-2,13,16-trimethyl-6-methylidene-10-oxatetracyclo[7.6.1.02,7.012,16]hexadecan-11-one (CHEBI:181679) is a sesquiterpene lactone (CHEBI:37667)
IUPAC Name
3,4,8,14,15-pentahydroxy-2,13,16-trimethyl-6-methylidene-10-oxatetracyclo[7.6.1.02,7.012,16]hexadecan-11-one