Spiroapplanatumine J (CHEBI:206321)

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	Spiroapplanatumine J

ChEBI ID	CHEBI:206321

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C17H18O7

Net Charge

Average Mass

334.324

Monoisotopic Mass

334.10525

InChI

InChI=1S/C17H18O7/c1-23-16(22)9-3-2-4-12(15(20)21)17(8-9)14(19)11-7-10(18)5-6-13(11)24-17/h5-7,9,12,18H,2-4,8H2,1H3,(H,20,21)/t9-,12-,17-/m0/s1

InChIKey

MOFVVGMVATZKJM-OVSFNBESSA-N

SMILES

O=C1C2=C(C=CC(=C2)O)O[C@@]13[C@H](C(=O)O)CCC[C@@H](C3)C(=O)OC

Metabolite of Species	Details
Ganoderma applanatum (NCBI:txid29884)	See: PubMed

ChEBI Ontology
Outgoing	Spiroapplanatumine J (CHEBI:206321) is a benzofurans (CHEBI:35259)

IUPAC Name

(1'R,2S,4'S)-5-hydroxy-4'-methoxycarbonyl-3-oxospiro[1-benzouran-2,2'-cycloheptane]-1'-carboxylic acid