(Q105137811)

English

KADUMKDGTUVTMV-UHFFFAOYSA-N

group of stereoisomers with the chemical formula C₆₅H₅₆O₃₆

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Statements

group of stereoisomers

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1 reference

biogenic alkylphenol

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biogenic alkylphenol

1,412.255128112 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₆₅H₅₆O₃₆

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canonical SMILES

O=C(OC1=CC=C(C=C1O)CCC(OC2OCC(O)C(O)C2O)CC(=O)CCC3=CC=C(O)C(O)=C3)C4=CC(O)=C(O)C(O)=C4OC=5C=C6C(=O)OCC7OC(O)C8OC(=O)C9=CC(O)=C(O)C(O)=C9C%10=C(O)C(O)=C(O)C=C%10C(=O)OC8C7OC(=O)C%11=CC(O)=C(O)C(O)=C%11C6=C(O)C5O

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1 reference

Hirsunin, an ellagitannin with a diarylheptanoid moiety, from Alnus hirsuta var. Microphylla

Identifiers

InChI=1S/C65H56O36/c66-21(5-1-19-3-7-28(67)29(68)9-19)11-22(95-65-54(86)47(79)35(74)17-94-65)6-2-20-4-8-36(30(69)10-20)97-63(91)27-15-34(73)46(78)53(85)55(27)96-37-16-26-42(52(84)48(37)80)41-23(12-31(70)45(77)51(41)83)60(88)99-56-38(18-93-59(26)87)98-64(92)58-57(56)100-61(89)24-13-32(71)43(75)49(81)39(24)40-25(62(90)101-58)14-33(72)44(76)50(40)82/h3-4,7-10,12-16,22,35,38,47,54,56-58,64-65,67-86,92H,1-2,5-6,11,17-18H2

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KADUMKDGTUVTMV-UHFFFAOYSA-N

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2 references

15 September 2022

matched by identifier from

KADUMKDGTUVTMV-UHFFFAOYSA-N

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