Guanacastepene M (CHEBI:211331)

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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	Guanacastepene M

ChEBI ID	CHEBI:211331

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C20H22O5

Net Charge

Average Mass

342.391

Monoisotopic Mass

342.14672

InChI

InChI=1S/C20H22O5/c1-9-8-24-17-12(9)20(3)7-6-19(2)5-4-10(21)11-13(19)16(25-18(11)23)14(20)15(17)22/h9,12,17H,4-8H2,1-3H3/t9-,12-,17+,19-,20+/m0/s1

InChIKey

NYXWRIOSIQNJKH-DDHNXKPLSA-N

SMILES

O=C1C=2C(=O)OC=3C2[C@@](CC[C@]4(C3C(=O)[C@@H]5OC[C@@H]([C@H]45)C)C)(C)CC1

ChEBI Ontology
Outgoing	Guanacastepene M (CHEBI:211331) is a cyclohexenones (CHEBI:48953)

IUPAC Name

(4R,7R,8R,9R,12R)-7,9,12-trimethyl-5,18-dioxapentacyclo[10.6.1.02,9.04,8.016,19]nonadeca-1,16(19)-diene-3,15,17-trione