(Q105140621)

English

methyl (2R,4R,6S,7R,8Z,11S)-6,7,15-trihydroxy-17-methoxy-11-methyl-13-oxo-3,12-dioxatricyclo[12.4.0.02,4]octadeca-1(14),8,15,17-tetraene-7-carboxylate

chemical compound

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instance of

type of chemical entity

0 references

subclass of

(5R,10E)-2-Oxo-3,4-(1-hydroxy-3-methoxy-1,3-butadiene-1,4-diyl)-5beta,6alpha-epoxy-8alpha,9-dihydroxy-13alpha-methyl-1-oxacyclotrideca-3,10-diene-9-carboxylic acid methyl ester

1 reference

based on heuristic

inferred from SMILES

Methyl 6,7,15-trihydroxy-17-methoxy-11-methyl-13-oxo-3,12-dioxatricyclo[12.4.0.02,4]octadeca-1(14),8,15,17-tetraene-7-carboxylate

1 reference

based on heuristic

inferred from SMILES

(5R,10Z)-2-Oxo-3,4-(1-hydroxy-3-methoxy-1,3-butadiene-1,4-diyl)-5beta,6alpha-epoxy-8,9-dihydroxy-13alpha-methyl-1-oxacyclotrideca-3,10-diene-9-carboxylic acid methyl ester

1 reference

based on heuristic

inferred from SMILES

mass

408.142032348 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl (2R,4R,6S,7R,8E,11S)-6,7,15-trihydroxy-17-methoxy-11-methyl-13-oxo-3,12-dioxatricyclo[12.4.0.02,4]octadeca-1(14),8,15,17-tetraene-7-carboxylate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₄O₉

0 references

canonical SMILES

O=C1OC(C)CC=CC(O)(C(=O)OC)C(O)CC2OC2C3=CC(OC)=CC(O)=C13

0 references

isomeric SMILES

COC(=O)[C@@]1(O)/C=C\C[C@H](C)OC(=O)c2c(O)cc(OC)cc2[C@H]2O[C@@H]2C[C@@H]1O

0 references

found in taxon

Aigialus parvus

1 reference

stated in

Aigialomycins and related polyketide metabolites from the mangrove fungus Aigialus parvus BCC 5311

Identifiers

InChI

InChI=1S/C20H24O9/c1-10-5-4-6-20(25,19(24)27-3)15(22)9-14-17(29-14)12-7-11(26-2)8-13(21)16(12)18(23)28-10/h4,6-8,10,14-15,17,21-22,25H,5,9H2,1-3H3/b6-4-/t10-,14+,15-,17+,20+/m0/s1

0 references

InChIKey

KFYHMUXHQAGCDJ-VTQWQPDJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KFYHMUXHQAGCDJ-VTQWQPDJSA-N

(Q105140621)

methyl (2R,4R,6S,7R,8Z,11S)-6,7,15-trihydroxy-17-methoxy-11-methyl-13-oxo-3,12-dioxatricyclo[12.4.0.02,4]octadeca-1(14),8,15,17-tetraene-7-carboxylate

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