Velatumin (CHEBI:69889)

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ChEBI Name	Velatumin

ChEBI ID	CHEBI:69889

Definition	A natural product found in Pittocaulon velatum.

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

Supplier Information

Download	Molfile XML SDF

Formula

C15H20O5

Net Charge

Average Mass

280.31630

Monoisotopic Mass

280.13107

InChI

InChI=1S/C15H20O5/c1-7-3-9(17)4-10-12(18)13-11(8(5-16)6-20-13)14(19)15(7,10)2/h6-7,9-10,14,16-17,19H,3-5H2,1-2H3/t7-,9+,10-,14+,15+/m0/s1

InChIKey

LVMASFUXMANZSS-HTJAIIGDSA-N

SMILES

[H][C@@]12C[C@H](O)C[C@H](C)[C@@]1(C)[C@H](O)c1c(CO)coc1C2=O

Metabolite of Species	Details
Pittocaulon velatum (IPNI:238587-1)	Found in stem (BTO:0001300). Methanol extract of dried and ground stems See: PubMed

Roles Classification
Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology
Outgoing	Velatumin (CHEBI:69889) has role metabolite (CHEBI:25212) Velatumin (CHEBI:69889) is a sesquiterpenoid (CHEBI:26658)

Synonym	Source
(4S,4aR,5S,7R,8aR)-4,7-Dihydroxy-3-(hydroxymethyl)-4a,5-dimethyl-4a,5,6,7,8,8a-hexahydronaphtho[2,3-b]furan-9(4H)-one	ChEBI

Citation	Type	Source
21661732	PubMed citation	Europe PMC

Last Modified

22 September 2014

General Comment
2014-10-17	Suggested Classification: ISA:naphthofuran(CHEBI:39270); ISA:benzofurans(CHEBI:35259); ISA:aromatic ketone(CHEBI:76224); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:furans(CHEBI:24129); ISA:organic hydroxy compound(CHEBI:33822); ISA:secondary alcohol(CHEBI:35681); ISA:primary alcohol(CHEBI:15734);