(Q77504798)

English

Salfredin B11

Salfredin B11 is found in herbs and spices. Salfredin B11 is a constituent of the seeds of Nigella sativa (black cumin).

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Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

0 references

mass

232.073558864 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₃H₁₂O₄

0 references

canonical SMILES

CC1(C=CC2=C(O1)C=C3COC(=O)C3=C2O)C

0 references

found in taxon

Crucibulum

1 reference

stated in

Salfredins, new aldose reductase inhibitors produced by Crucibulum sp. RF-3817. I. Fermentation, isolation and structures of salfredins

Nigella sativa

2 references

stated in

Structure of a new isobenzofuranone derivative fromNigella sativa Linn

stated in

Preparative isolation and purification of isobenzofuranone derivatives and saponins from seeds of Nigella glandulifera Freyn by high-speed counter-current chromatography combined with gel filtration

Identifiers

InChI

InChI=1S/C13H12O4/c1-13(2)4-3-8-9(17-13)5-7-6-16-12(15)10(7)11(8)14/h3-5,14H,6H2,1-2H3

0 references

InChIKey

ZYOUEEMPKPNVQW-UHFFFAOYSA-N

2 references

language of work or name

English

stated in

Natural Product Atlas

PubChem CID

636462

language of work or name

1 reference

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

language of work or name

English

matched by identifier from

InChIKey

ZYOUEEMPKPNVQW-UHFFFAOYSA-N

ChEBI ID

174191

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C13H12O4/c1-13(2)4-3-8-9(17-13)5-7-6-16-12(15)10(7)11(8)14/h3-5,14H,6H2,1-2H3

1 reference

NMRShiftDB structure ID

2227

1 reference

matched by identifier from

InChIKey

ZYOUEEMPKPNVQW-UHFFFAOYSA-N

DSSTox substance ID

DTXSID001158979

1 reference

matched by identifier from

InChIKey

ZYOUEEMPKPNVQW-UHFFFAOYSA-N

Human Metabolome Database ID

HMDB0041325

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

ZYOUEEMPKPNVQW-UHFFFAOYSA-N

KNApSAcK ID

C00016514

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

ZYOUEEMPKPNVQW-UHFFFAOYSA-N

UNII

BY58655237

1 reference

matched by identifier from

InChIKey

ZYOUEEMPKPNVQW-UHFFFAOYSA-N

Natural Product Atlas ID

NPA011721

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

ZYOUEEMPKPNVQW-UHFFFAOYSA-N

(Q77504798)

Salfredin B11

Statements

Identifiers

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