Clavirolide A (CHEBI:197600)

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	Clavirolide A

ChEBI ID	CHEBI:197600

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C20H28O4

Net Charge

Average Mass

332.440

Monoisotopic Mass

332.19876

InChI

InChI=1S/C20H28O4/c1-12-5-7-19(4)8-6-16-14(3)18(22)24-17(20(16,19)23)11-13(2)10-15(21)9-12/h5,13,17,23H,6-11H2,1-4H3/b12-5+/t13-,17-,19-,20-/m1/s1

InChIKey

JVYXSCVDLGVIRM-NOYREHSQSA-N

SMILES

O=C1CC(=CC[C@@]2(CCC=3[C@]2([C@@H](C[C@@H](C1)C)OC(=O)C3C)O)C)C

Metabolite of Species	Details
Clavularia viridis (NCBI:txid153213)	See: DOI

ChEBI Ontology
Outgoing	Clavirolide A (CHEBI:197600) is a diterpenoid (CHEBI:23849)

IUPAC Name

(1R,3S,7E,10S,17R)-17-hydroxy-3,7,10,14-tetramethyl-16-oxatricyclo[8.6.1.013,17]heptadeca-7,13-diene-5,15-dione