(Q105258831)

English

(3R,4S)-3,7,14-trihydroxy-16-oxo-5-oxapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2(20),6,8,10,12,14,17-octaene-4-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

Xanalteric acid I

1 reference

based on heuristic

inferred from InChIKey

mass

364.058302724 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3S,4R)-3,7,14-trihydroxy-16-oxo-5-oxapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2(20),6,8,10,12,14,17-octaene-4-carboxylic acid

1 reference

based on heuristic

inferred from InChI

(3R,4R)-3,7,14-trihydroxy-16-oxo-5-oxapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2(20),6,8,10,12,14,17-octaene-4-carboxylic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₁₂O₇

0 references

canonical SMILES

O=C(O)C1OC2=C(O)C=CC=3C=4C=CC(O)=C5C(=O)C=CC(C45)=C(C23)C1O

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isomeric SMILES

O=C1C=Cc2c3c4c(c(O)ccc4c4ccc(O)c1c24)O[C@H](C(=O)O)[C@@H]3O

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found in taxon

Alternaria

1 reference

stated in

Xanalteric Acids I and II and Related Phenolic Compounds from an EndophyticAlternariasp. Isolated from the Mangrove PlantSonneratia alba

Identifiers

InChI

InChI=1S/C20H12O7/c21-10-4-1-7-8-2-6-12(23)18-15(8)14(17(24)19(27-18)20(25)26)9-3-5-11(22)16(10)13(7)9/h1-6,17,19,21,23-24H,(H,25,26)/t17-,19+/m1/s1

0 references

InChIKey

SRAOLIZIJYDHTE-MJGOQNOKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SRAOLIZIJYDHTE-MJGOQNOKSA-N

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