(Q104913330)

English

(10S,11R,12R,13R,15R)-3,4,5,11,12,13,21,22,23,26,27-undecahydroxy-9,14,17,29,36-pentaoxaoctacyclo[29.8.0.02,7.010,15.019,24.025,34.028,33.032,37]nonatriaconta-1(31),2,4,6,19,21,23,25,27,32(37),33,38-dodecaene-8,18,30,35-tetrone

chemical compound

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instance of

type of chemical entity

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subclass of

3,4,5,11,12,13,21,22,23,26,27-Undecahydroxy-9,14,17,29,36-pentaoxaoctacyclo[29.8.0.02,7.010,15.019,24.025,34.028,33.032,37]nonatriaconta-1(31),2,4,6,19,21,23,25,27,32(37),33,38-dodecaene-8,18,30,35-tetrone

1 reference

based on heuristic

inferred from SMILES

mass

750.070443104 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₂₂O₂₀

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canonical SMILES

O=C1OC=2C=CC3=C4C(=O)OC5=C(O)C(O)=C(C1=C5C24)C=6C(O)=C(O)C(O)=CC6C(=O)OCC7OC(O)C(O)C(O)C7OC(=O)C=8C=C(O)C(O)=C(O)C83

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isomeric SMILES

O=C1O[C@@H]2[C@@H](COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c4oc(=O)c5c(ccc6oc(=O)c3c4c65)-c3c1cc(O)c(O)c3O)O[C@@H](O)[C@H](O)[C@H]2O

0 references

found in taxon

Terminalia chebula

1 reference

stated in

Polyphenolic compounds in the fruits of Egyptian medicinal plants (Terminalia bellerica, Terminalia chebula and Terminalia horrida): characterization, quantitation and determination of antioxidant capacities

Identifiers

InChI

InChI=1S/C34H22O20/c35-9-3-7-13(22(39)20(9)37)6-1-2-11-16-15(6)32(47)54-29-18(16)19(33(48)51-11)17(24(41)25(29)42)14-8(4-10(36)21(38)23(14)40)30(45)50-5-12-28(53-31(7)46)26(43)27(44)34(49)52-12/h1-4,12,26-28,34-44,49H,5H2/t12-,26-,27-,28-,34-/m1/s1

0 references

InChIKey

AJPZTPHLBVNXJA-FUIATEHMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AJPZTPHLBVNXJA-FUIATEHMSA-N

(Q104913330)

(10S,11R,12R,13R,15R)-3,4,5,11,12,13,21,22,23,26,27-undecahydroxy-9,14,17,29,36-pentaoxaoctacyclo[29.8.0.02,7.010,15.019,24.025,34.028,33.032,37]nonatriaconta-1(31),2,4,6,19,21,23,25,27,32(37),33,38-dodecaene-8,18,30,35-tetrone

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