(Q105151456)

English

(2S,4S,5S)-2,4-dimethyl-5-[(1E,3E,5E)-7-[(2R,3S)-2-methyl-6-(2,3,8-trihydroxy-3-methyl-1,7,12-trioxo-2,4-dihydrobenzo[a]anthracen-9-yl)oxan-3-yl]oxy-7-oxohepta-1,3,5-trienyl]-1,3-dioxolane-2-carboxylic acid

group of stereoisomers with the chemical formula C₃₈H₃₈O₁₃

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Statements

instance of

group of stereoisomers

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subclass of

benzo[a]anthracene polyketide

1 reference

inferred from

benzo[a]anthracene polyketide

mass

702.231241276 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₈H₃₈O₁₃

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canonical SMILES

O=C(OC1CCC(OC1C)C2=CC=C3C(=O)C=4C(=CC=C5C4C(=O)C(O)C(O)(C)C5)C(=O)C3=C2O)C=CC=CC=CC6OC(OC6C)(C(=O)O)C

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isomeric SMILES

C[C@@H]1O[C@](C)(C(=O)O)O[C@H]1/C=C/C=C/C=C/C(=O)O[C@H]1CCC(c2ccc3c(c2O)C(=O)c2ccc4c(c2C3=O)C(=O)C(O)C(C)(O)C4)O[C@@H]1C

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found in taxon

Streptomyces

1 reference

stated in

New capoamycin-type antibiotics and polyene acids from marine Streptomyces fradiae PTZ0025

Identifiers

InChI

InChI=1S/C38H38O13/c1-18-24(49-27(39)10-8-6-5-7-9-25-19(2)50-38(4,51-25)36(45)46)15-16-26(48-18)21-13-14-23-30(31(21)40)33(42)22-12-11-20-17-37(3,47)35(44)34(43)28(20)29(22)32(23)41/h5-14,18-19,24-26,35,40,44,47H,15-17H2,1-4H3,(H,45,46)/b6-5+,9-7+,10-8+/t18-,19+,24+,25+,26?,35?,37?,38+/m1/s1

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InChIKey

LGLUNKKVFSUDLD-BUCAYVIUSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LGLUNKKVFSUDLD-BUCAYVIUSA-N

(Q105151456)

(2S,4S,5S)-2,4-dimethyl-5-[(1E,3E,5E)-7-[(2R,3S)-2-methyl-6-(2,3,8-trihydroxy-3-methyl-1,7,12-trioxo-2,4-dihydrobenzo[a]anthracen-9-yl)oxan-3-yl]oxy-7-oxohepta-1,3,5-trienyl]-1,3-dioxolane-2-carboxylic acid

Statements

Identifiers

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