(Q105274579)

English

[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-3-yl] 3,4,5-trihydroxy-2-(6,7,13,14-tetrahydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,11,13-hexaen-5-yl)benzoate

chemical compound

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1 reference

784.075922408 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₄H₂₄O₂₂

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canonical SMILES

O=C1OC2=C(O)C(O)=C(C=3C(=O)OC4=C(O)C(O)=CC1=C4C23)C=5C(O)=C(O)C(O)=CC5C(=O)OC6C(O)C(O)C(O)OC6COC(=O)C7=CC(O)=C(O)C(O)=C7

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isomeric SMILES

O=C(OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1-c1c(O)c(O)c2oc(=O)c3cc(O)c(O)c4oc(=O)c1c2c43)c1cc(O)c(O)c(O)c1

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Identifiers

InChI

InChI=1S/C34H24O22/c35-9-1-6(2-10(36)19(9)39)30(47)52-5-13-27(25(45)26(46)34(51)53-13)54-31(48)7-3-11(37)20(40)22(42)14(7)16-18-17-15-8(32(49)55-29(17)24(44)23(16)43)4-12(38)21(41)28(15)56-33(18)50/h1-4,13,25-27,34-46,51H,5H2/t13-,25-,26-,27-,34-/m1/s1

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InChIKey

UKIPVDAOZKIZJT-NFWLSGPJSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UKIPVDAOZKIZJT-NFWLSGPJSA-N

1 reference

(Q105274579)

[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-3-yl] 3,4,5-trihydroxy-2-(6,7,13,14-tetrahydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,11,13-hexaen-5-yl)benzoate

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