(Q110186892)

English

Alatanin B

group of stereoisomers with the chemical formula C₆₁H₇₁O₃₄⁺

In more languages

Statements

group of stereoisomers

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1,347.38212577209 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₆₁H₇₁O₃₄⁺

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based on heuristic

inferred from SMILES

canonical SMILES

O=C(OCC1OC(OC=2C=C(O)C=3C=C(OC4OC(COC5OC(COC(=O)C=CC6=CC(OC)=C(O)C(OC)=C6)C(O)C(O)C5O)C(O)C(O)C4O)C(=[O+]C3C2)C=7C=CC(O)=C(OC8OC(CO)C(O)C(O)C8O)C7)C(O)C(O)C1O)C=CC9=CC(OC)=C(O)C(OC)=C9

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Dioscorea alata

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Structures of alatanin A, B and C isolated from edible purple yam Dioscorea alata

Identifiers

InChI=1S/C61H70O34/c1-81-32-11-23(12-33(82-2)43(32)67)5-9-41(65)85-20-38-46(70)50(74)53(77)58(93-38)87-22-40-48(72)52(76)56(80)61(95-40)91-36-18-27-29(64)16-26(17-30(27)89-57(36)25-7-8-28(63)31(15-25)90-60-55(79)49(73)45(69)37(19-62)92-60)88-59-54(78)51(75)47(71)39(94-59)21-86-42(66)10-6-24-13-34(83-3)44(68)35(14-24)84-4/h5-18,37-40,45-56,58-62,69-80H,19-22H2,1-4H3,(H3-,63,64,65,66,67,68)/p+1

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XGIATRRVWDRDPO-UHFFFAOYSA-O

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CAS Registry Number

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CAS (formerly Chemical Abstracts Service)

25 January 2022

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15 September 2022

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15 September 2022

UniChem compound ID

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Human Metabolome Database ID

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based on heuristic

inferred from InChIKey

1 reference

based on heuristic

inferred from InChIKey

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