Clandestacarpin (CHEBI:187428)

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	Clandestacarpin

ChEBI ID	CHEBI:187428

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C20H16O5

Net Charge

Average Mass

336.343

Monoisotopic Mass

336.09977

InChI

InChI=1S/C20H16O5/c1-10(2)16-8-13-15(24-16)6-4-12-18(13)23-9-20(22)14-5-3-11(21)7-17(14)25-19(12)20/h3-8,19,21-22H,1,9H2,2H3

InChIKey

JHGGFHPIFBPWNE-UHFFFAOYSA-N

SMILES

O1C2C(O)(C3=C1C=C(O)C=C3)COC4=C2C=CC=5OC(=CC45)C(C)=C

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study

ChEBI Ontology
Outgoing	Clandestacarpin (CHEBI:187428) is a pterocarpans (CHEBI:26377)

IUPAC Name

16-prop-1-en-2-yl-3,12,17-trioxapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),4(9),5,7,14(18),15,19-heptaene-6,10-diol