(Q105331656)

English

(1R,8S,9R,16R,18S,27S)-9-(3,4-dihydroxyphenyl)-5,8,16,21,23-pentahydroxy-2,10,17,26-tetraoxaheptacyclo[14.11.1.01,13.03,12.06,11.018,27.020,25]octacosa-3(12),4,6(11),13,20,22,24-heptaen-15-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

9-(3,4-dihydroxyphenyl)-5,8,16,21,23-pentahydroxy-2,10,17,26-tetraoxaheptacyclo[14.11.1.0¹,¹³.0³,¹².0⁶,¹¹.0¹⁸,²⁷.0²⁰,²⁵]octacosa-3(12),4,6(11),13,20,22,24-heptaen-15-one

1 reference

based on heuristic

inferred from SMILES

mass

576.126776208 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,8R,9S,16S,18R,27R)-9-(3,4-dihydroxyphenyl)-5,8,16,21,23-pentahydroxy-2,10,17,26-tetraoxaheptacyclo[14.11.1.01,13.03,12.06,11.018,27.020,25]octacosa-3(12),4,6(11),13,20,22,24-heptaen-15-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₂₄O₁₂

0 references

canonical SMILES

O=C1C=C2C=3C(OC24CC1(O)OC5CC=6C(O)=CC(O)=CC6OC54)=CC(O)=C7C3OC(C8=CC=C(O)C(O)=C8)C(O)C7

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isomeric SMILES

O=C1C=C2c3c(cc(O)c4c3O[C@H](c3ccc(O)c(O)c3)[C@@H](O)C4)O[C@]23C[C@@]1(O)O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]13

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found in taxon

Entada phaseoloides

1 reference

stated in

Antioxidant phenolic compounds from the stems of Entada phaseoloides

Quercus ilex

1 reference

stated in

Proanthocyanidin glycosides from the leaves of Quercus ilex L. (Fagaceae)

Identifiers

InChI

InChI=1S/C30H24O12/c31-12-4-17(33)13-7-23-28(39-21(13)5-12)29-10-30(38,42-23)24(37)8-15(29)25-22(41-29)9-18(34)14-6-20(36)26(40-27(14)25)11-1-2-16(32)19(35)3-11/h1-5,8-9,20,23,26,28,31-36,38H,6-7,10H2/t20-,23-,26+,28-,29+,30+/m0/s1

0 references

InChIKey

XNGZKGIFXTWBFN-LTVJOWCOSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105331656)

(1R,8S,9R,16R,18S,27S)-9-(3,4-dihydroxyphenyl)-5,8,16,21,23-pentahydroxy-2,10,17,26-tetraoxaheptacyclo[14.11.1.01,13.03,12.06,11.018,27.020,25]octacosa-3(12),4,6(11),13,20,22,24-heptaen-15-one

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