Pestalotiollide B (CHEBI:214604)

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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	Pestalotiollide B

ChEBI ID	CHEBI:214604

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C21H22O7

Net Charge

Average Mass

386.400

Monoisotopic Mass

386.13655

InChI

InChI=1S/C21H22O7/c1-10(2)17(23)18(24)13-5-6-15-16(20(13)26-4)21(25)27-9-12-7-11(3)8-14(22)19(12)28-15/h5-8,17-18,22-24H,1,9H2,2-4H3/t17-,18-/m0/s1

InChIKey

HHLSDNCZICXJDV-ROUUACIJSA-N

SMILES

O=C1OCC2=C(C(O)=CC(=C2)C)OC=3C1=C(OC)C(=CC3)[C@H](O)[C@@H](O)C(=C)C

Metabolite of Species	Details
Pestalotiopsisspecies (NCBI:txid36460)	See: DOI

ChEBI Ontology
Outgoing	Pestalotiollide B (CHEBI:214604) is a aromatic ether (CHEBI:35618)

IUPAC Name

2-[(1S,2S)-1,2-dihydroxy-3-methylbut-3-enyl]-6-hydroxy-1-methoxy-8-methyl-10H-benzo[b][1,5]benzodioxocin-12-one