(Q105303818)

English

(2S)-2-[(Z)-{1-[(2R)-10-acetyl-5,11,13-trihydroxy-2,12-dimethyl-3-oxo-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),4,6,10,12-pentaen-4-yl]ethylidene}amino]pentanedioic acid

chemical compound

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instance of

type of chemical entity

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subclass of

2-[(1-{10-acetyl-5,11,13-trihydroxy-2,12-dimethyl-3-oxo-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),4,6,10,12-pentaen-4-yl}ethylidene)amino]pentanedioic acid

1 reference

based on heuristic

inferred from SMILES

mass

473.132195936 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2S)-2-[(E)-{1-[(2R)-10-acetyl-5,11,13-trihydroxy-2,12-dimethyl-3-oxo-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),4,6,10,12-pentaen-4-yl]ethylidene}amino]pentanedioic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₃H₂₃NO₁₀

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canonical SMILES

O=C(O)CCC(N=C(C=1C(=O)C2(C(OC3=C(C(=O)C)C(O)=C(C(O)=C32)C)=CC1O)C)C)C(=O)O

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isomeric SMILES

CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(O)=C(/C(C)=N\[C@@H](CCC(=O)O)C(=O)O)C(=O)[C@@]12C

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found in taxon

Stereocaulon alpinum

2 references

stated in

Usimines A-C, bioactive usnic acid derivatives from the Antarctic lichen Stereocaulon alpinum

stated in

Usimines A-C, bioactive usnic acid derivatives from the Antarctic lichen Stereocaulon alpinum

Identifiers

InChI

InChI=1S/C23H23NO10/c1-8-18(29)16(10(3)25)20-17(19(8)30)23(4)13(34-20)7-12(26)15(21(23)31)9(2)24-11(22(32)33)5-6-14(27)28/h7,11,26,29-30H,5-6H2,1-4H3,(H,27,28)(H,32,33)/b24-9-/t11-,23-/m0/s1

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InChIKey

WFFMTGCIAAQCKO-VSZRXASPSA-N

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ChEBI ID

202151

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C23H23NO10/c1-8-18(29)16(10(3)25)20-17(19(8)30)23(4)13(34-20)7-12(26)15(21(23)31)9(2)24-11(22(32)33)5-6-14(27)28/h7,11,26,29-30H,5-6H2,1-4H3,(H,27,28)(H,32,33)/b24-9-/t11-,23-/m0/s1

Natural Product Atlas ID

NPA004905

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

WFFMTGCIAAQCKO-VSZRXASPSA-N

(Q105303818)

(2S)-2-[(Z)-{1-[(2R)-10-acetyl-5,11,13-trihydroxy-2,12-dimethyl-3-oxo-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),4,6,10,12-pentaen-4-yl]ethylidene}amino]pentanedioic acid

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