Plicatilisin B (CHEBI:199619)

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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	Plicatilisin B

ChEBI ID	CHEBI:199619

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C20H30O4

Net Charge

Average Mass

334.456

Monoisotopic Mass

334.21441

InChI

InChI=1S/C20H30O4/c1-11(2)16-15(23)9-13-18(24)17-12(10-21)14(22)5-6-19(17,3)7-8-20(13,16)4/h11,14,16,21-22,24H,5-10H2,1-4H3/t14-,16-,19-,20-/m0/s1

InChIKey

PCSZVWIDBZFNQB-QHERXFFYSA-N

SMILES

O=C1[C@@H]([C@]2(CC[C@@]3(CC[C@@H](C(=C3C(=C2C1)O)CO)O)C)C)C(C)C

Metabolite of Species	Details
Parasola plicatilis (NCBI:txid76939)	See: PubMed

ChEBI Ontology
Outgoing	Plicatilisin B (CHEBI:199619) is a secondary alcohol (CHEBI:35681)

IUPAC Name

(3R,3aR,5aR,8S)-8,10-dihydroxy-9-(hydroxymethyl)-3a,5a-dimethyl-3-propan-2-yl-3,4,5,6,7,8-hexahydro-1H-benzo[]azulen-2-one