(Q105103026)

English

(2R,3E,5E)-6,10-dimethyl-2-[(2S)-4-methyl-5-oxido-2,3-dihydrofuro[3,2-c]quinolin-5-ium-2-yl]undeca-3,5,9-trien-2-ol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

2-(2-hydroxy-6,10-dimethylundeca-3,5,9-trien-2-yl)-4-methyl-2H,3H-furo[3,2-c]quinolin-5-ium-5-olate

1 reference

based on heuristic

inferred from SMILES

2-[(3E,5E)-2-hydroxy-6,10-dimethylundeca-3,5,9-trien-2-yl]-4-methyl-2H,3H-furo[3,2-c]quinolin-5-ium-5-olate

1 reference

based on heuristic

inferred from SMILES

mass

393.230393852 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₁NO₃

0 references

canonical SMILES

[O-][N+]=1C=2C=CC=CC2C=3OC(CC3C1C)C(O)(C=CC=C(C)CCC=C(C)C)C

0 references

isomeric SMILES

CC(C)=CCC/C(C)=C/C=C/[C@@](C)(O)[C@@H]1Cc2c(c3ccccc3[n+]([O-])c2C)O1

0 references

found in taxon

Stigmatella aurantiaca

1 reference

stated in

Biosynthesis of aurachins A-L in Stigmatella aurantiaca: a feeding study

Identifiers

InChI

InChI=1S/C25H31NO3/c1-17(2)10-8-11-18(3)12-9-15-25(5,27)23-16-21-19(4)26(28)22-14-7-6-13-20(22)24(21)29-23/h6-7,9-10,12-15,23,27H,8,11,16H2,1-5H3/b15-9+,18-12+/t23-,25+/m0/s1

0 references

InChIKey

CPHALJMXKNITBL-ZFKGPQQBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CPHALJMXKNITBL-ZFKGPQQBSA-N

ChEBI ID

227833

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C25H31NO3/c1-17(2)10-8-11-18(3)12-9-15-25(5,27)23-16-21-19(4)26(28)22-14-7-6-13-20(22)24(21)29-23/h6-7,9-10,12-15,23,27H,8,11,16H2,1-5H3/b15-9+,18-12+/t23-,25+/m0/s1

KNApSAcK ID

C00052211

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

CPHALJMXKNITBL-ZFKGPQQBSA-N

Natural Product Atlas ID

NPA013250

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

CPHALJMXKNITBL-ZFKGPQQBSA-N

(Q105103026)

(2R,3E,5E)-6,10-dimethyl-2-[(2S)-4-methyl-5-oxido-2,3-dihydrofuro[3,2-c]quinolin-5-ium-2-yl]undeca-3,5,9-trien-2-ol

Statements

Identifiers

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