(Q104389218)

English

Sanguiin H6

group of stereoisomers with the chemical formula C₈₂H₅₄O₅₂

In more languages

Statements

group of stereoisomers

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chemical compound

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1,870.158111968 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₈₂H₅₄O₅₂

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canonical SMILES

O=C1OCC2OC(OC(=O)C3=CC(O)=C(O)C(OC=4C(O)=C(O)C(O)=C5C4C(=O)OC6C(OC(OC(=O)C7=CC(O)=C(O)C(O)=C7)C8OC(=O)C9=CC(O)=C(O)C(O)=C9C%10=C(O)C(O)=C(O)C=C%10C(=O)OC86)COC(=O)C%11=CC(O)=C(O)C(O)=C%115)=C3)C%12OC(=O)C%13=CC(O)=C(O)C(O)=C%13C%14=C(O)C(O)=C(O)C=C%14C(=O)OC%12C2OC(=O)C%15=CC(O)=C(O)C(O)=C%15C%16=C(O)C(O)=C(O)C=C1%16

0 references

1 reference

Hydrolysable tannins as chemotaxonomic markers in the rosaceae

1 reference

Hydrolysable tannins as chemotaxonomic markers in the rosaceae

1 reference

Hydrolysable tannins as chemotaxonomic markers in the rosaceae

1 reference

Hydrolysable tannins as chemotaxonomic markers in the rosaceae

Rubus calycinoides

1 reference

Tannins and related compounds. CXXII. New dimeric, trimeric and tetrameric ellagitannins, lambertianins A-D, from Rubus lambertianus Seringe

1 reference

Tannins and related compounds. CXXII. New dimeric, trimeric and tetrameric ellagitannins, lambertianins A-D, from Rubus lambertianus Seringe

Rubus parvifolius

1 reference

Tannins and related compounds. CXXII. New dimeric, trimeric and tetrameric ellagitannins, lambertianins A-D, from Rubus lambertianus Seringe

Rubus phoenicolasius

1 reference

Tannins and related compounds. CXXII. New dimeric, trimeric and tetrameric ellagitannins, lambertianins A-D, from Rubus lambertianus Seringe

Rubus sieboldii

1 reference

Tannins and related compounds. CXXII. New dimeric, trimeric and tetrameric ellagitannins, lambertianins A-D, from Rubus lambertianus Seringe

1 reference

Food ellagitannins-occurrence, effects of processing and storage

Identifiers

InChI=1S/C82H54O52/c83-23-1-14(2-24(84)45(23)93)71(112)133-81-70-68(130-77(118)20-9-30(90)50(98)57(105)39(20)41-22(79(120)132-70)11-32(92)52(100)59(41)107)65-35(126-81)13-123-74(115)17-6-27(87)53(101)60(108)42(17)43-44(80(121)128-65)66(63(111)62(110)61(43)109)124-33-4-15(3-25(85)46(33)94)72(113)134-82-69-67(129-76(117)19-8-29(89)49(97)56(104)38(19)40-21(78(119)131-69)10-31(91)51(99)58(40)106)64-34(125-82)12-122-73(114)16-5-26(86)47(95)54(102)36(16)37-18(75(116)127-64)7-28(88)48(96)55(37)103/h1-11,34-35,64-65,67-70,81-111H,12-13H2

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FFZOOOCGCNFHAQ-UHFFFAOYSA-N

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3 references

26 December 2021

15 September 2022

matched by identifier from

FFZOOOCGCNFHAQ-UHFFFAOYSA-N

mapping relation type

1 reference

matched by identifier from

International Chemical Identifier

InChI=1S/C82H54O52/c83-23-1-14(2-24(84)45(23)93)71(112)133-81-70-68(130-77(118)20-9-30(90)50(98)57(105)39(20)41-22(79(120)132-70)11-32(92)52(100)59(41)107)65-35(126-81)13-123-74(115)17-6-27(87)53(101)60(108)42(17)43-44(80(121)128-65)66(63(111)62(110)61(43)109)124-33-4-15(3-25(85)46(33)94)72(113)134-82-69-67(129-76(117)19-8-29(89)49(97)56(104)38(19)40-21(78(119)131-69)10-31(91)51(99)58(40)106)64-34(125-82)12-122-73(114)16-5-26(86)47(95)54(102)36(16)37-18(75(116)127-64)7-28(88)48(96)55(37)103/h1-11,34-35,64-65,67-70,81-111H,12-13H2

UniChem compound ID

1 reference

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

FFZOOOCGCNFHAQ-UHFFFAOYSA-N

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

FFZOOOCGCNFHAQ-UHFFFAOYSA-N

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