(Q104172293)

English

2,3,4,5-Tetrahydroxypentyl 13-[6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-5,9-dihydroxy-2,4,6,8,10,12,14,16,18-nonamethylicosa-2,6,10-trienoate

group of stereoisomers with the chemical formula C₄₂H₇₄O₁₅

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

818.502771668 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₄₂H₇₄O₁₅

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canonical SMILES

O=C(OCC(O)C(O)C(O)CO)C(=CC(C)C(O)C(=CC(C)C(O)C(=CC(C)C(OC1OC(COC(=O)C)C(O)C(O)C1O)C(C)CC(C)CC(C)CC)C)C)C

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found in taxon

Bionectria ochroleuca

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stated in

Polyketide glycosides from Bionectria ochroleuca inhibit Candida albicans biofilm formation

Identifiers

InChI

InChI=1S/C42H74O15/c1-12-21(2)13-22(3)14-27(8)40(57-42-39(52)38(51)37(50)33(56-42)20-54-30(11)44)28(9)16-25(6)34(47)23(4)15-24(5)35(48)26(7)17-29(10)41(53)55-19-32(46)36(49)31(45)18-43/h15-17,21-23,26-28,31-40,42-43,45-52H,12-14,18-20H2,1-11H3

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InChIKey

NCIXLNTUPVOTSJ-UHFFFAOYSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

NCIXLNTUPVOTSJ-UHFFFAOYSA-N

1 reference

(Q104172293)

2,3,4,5-Tetrahydroxypentyl 13-[6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-5,9-dihydroxy-2,4,6,8,10,12,14,16,18-nonamethylicosa-2,6,10-trienoate

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Identifiers

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