(Q104971451)

English

10-[3-Carboxy-2-[3,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-4,6,9-trimethyl-10-oxoanthracen-9-yl]peroxy-3,8-dihydroxy-1,7,10-trimethyl-9-oxoanthracene-2-carboxylic acid

group of stereoisomers with the chemical formula C₄₈H₅₀O₂₂

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instance of

group of stereoisomers

0 references

1 reference

978.27937324 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₈H₅₀O₂₂

0 references

canonical SMILES

O=C(O)C1=C(O)C=C2C(C(=O)C3=C(O)C(=CC=C3C2(OOC4(C5=CC=C(C(O)=C5C(=O)C6=C(C(C(=O)O)=C(OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)C=C64)C)C)C)C)C)=C1C

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found in taxon

Streptomyces

2 references

stated in

Adxanthromycins A and B, New Inhibitors of ICAM-1/LFA-1 Mediated Cell Adhesion Molecule from Streptomyces sp. NA-148. I. Taxonomy, Production, Isolation and Biological Activities.

stated in

Adxanthromycins A and B, new inhibitors of ICAM-1/LFA-1 mediated cell adhesion molecule from Streptomyces sp. NA-148. II. Physico-chemical properties and structure elucidation

Identifiers

InChI

InChI=1S/C48H50O22/c1-15-7-9-19-31(33(15)52)37(56)27-17(3)29(43(61)62)23(51)11-21(27)47(19,5)69-70-48(6)20-10-8-16(2)34(53)32(20)38(57)28-18(4)30(44(63)64)24(12-22(28)48)65-46-41(60)42(36(55)26(14-50)67-46)68-45-40(59)39(58)35(54)25(13-49)66-45/h7-12,25-26,35-36,39-42,45-46,49-55,58-60H,13-14H2,1-6H3,(H,61,62)(H,63,64)

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InChIKey

CWPSEWUMAYAMCN-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CWPSEWUMAYAMCN-UHFFFAOYSA-N

(Q104971451)

10-[3-Carboxy-2-[3,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-4,6,9-trimethyl-10-oxoanthracen-9-yl]peroxy-3,8-dihydroxy-1,7,10-trimethyl-9-oxoanthracene-2-carboxylic acid

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