(Q113958756)

English

(2R,3R)-2-[(E)-4-hydroxybut-2-en-2-yl]-3-methyl-4-oxo-5-phenyl-2,7-dihydrofuro[2,3-b]pyridine-3-carbaldehyde

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

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mass

325.131408088 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₉H₁₉NO₄

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canonical SMILES

O=CC1(C=2C(=O)C(=CNC2OC1C(=CCO)C)C=3C=CC=CC3)C

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isomeric SMILES

C/C(=C\CO)[C@H]1Oc2[nH]cc(-c3ccccc3)c(=O)c2[C@@]1(C)C=O

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found in taxon

Nectria decora

1 reference

stated in

CJ-15,696 and Its Analogs, New Furopyridine Antibiotics from the Fungus Cladobotryum varium: Fermentation, Isolation, Structural Elucidation, Biotransformation and Antibacterial Activities.

Identifiers

InChI

InChI=1S/C19H19NO4/c1-12(8-9-21)17-19(2,11-22)15-16(23)14(10-20-18(15)24-17)13-6-4-3-5-7-13/h3-8,10-11,17,21H,9H2,1-2H3,(H,20,23)/b12-8+/t17-,19-/m1/s1

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InChIKey

KKYNFPYTLOXXDI-PWNOGMSSSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KKYNFPYTLOXXDI-PWNOGMSSSA-N

ChEBI ID

219997

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C19H19NO4/c1-12(8-9-21)17-19(2,11-22)15-16(23)14(10-20-18(15)24-17)13-6-4-3-5-7-13/h3-8,10-11,17,21H,9H2,1-2H3,(H,20,23)/b12-8+/t17-,19-/m1/s1

1 reference

Natural Product Atlas ID

NPA032800

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

KKYNFPYTLOXXDI-PWNOGMSSSA-N

(Q113958756)

(2R,3R)-2-[(E)-4-hydroxybut-2-en-2-yl]-3-methyl-4-oxo-5-phenyl-2,7-dihydrofuro[2,3-b]pyridine-3-carbaldehyde

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Identifiers

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