(Q104201285)

English

[5-[6-(Deca-2,4-dienoyloxymethyl)-4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-[2,4-dihydroxy-6-(hydroxymethyl)phenyl]-3-hydroxy-6-(hydroxymethyl)oxan-4-yl] 7-hydroxyhexadeca-2,4,8,10-tetraenoate

group of stereoisomers with the chemical formula C₅₁H₇₄O₂₁

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

1,022.472259388 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₅₁H₇₄O₂₁

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canonical SMILES

O=C(OCC1OC(OC2C(OC(C=3C(O)=CC(O)=CC3CO)C(O)C2OC(=O)C=CC=CCC(O)C=CC=CCCCCC)CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C1O)C=CC=CCCCCC

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Identifiers

InChI

InChI=1S/C51H74O21/c1-3-5-7-9-11-13-16-20-31(55)21-17-15-19-23-38(59)70-48-45(65)47(39-30(26-52)24-32(56)25-33(39)57)67-35(28-54)46(48)71-51-49(72-50-44(64)42(62)40(60)34(27-53)68-50)43(63)41(61)36(69-51)29-66-37(58)22-18-14-12-10-8-6-4-2/h11-20,22-25,31,34-36,40-57,60-65H,3-10,21,26-29H2,1-2H3

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InChIKey

XRQGNAQBXJWDHO-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XRQGNAQBXJWDHO-UHFFFAOYSA-N

(Q104201285)

[5-[6-(Deca-2,4-dienoyloxymethyl)-4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-[2,4-dihydroxy-6-(hydroxymethyl)phenyl]-3-hydroxy-6-(hydroxymethyl)oxan-4-yl] 7-hydroxyhexadeca-2,4,8,10-tetraenoate

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