(Q115947349)

English

2'',4'',6''-Triacetylglycitin

group of stereoisomers with the chemical formula C₂₈H₂₈O₁₃

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Statements

instance of

group of stereoisomers

0 references

subclass of

chemical compound

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mass

572.152990956 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₂₈O₁₃

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canonical SMILES

O=C(OCC1OC(OC2=CC=3OC=C(C(=O)C3C=C2OC)C=4C=CC(O)=CC4)C(OC(=O)C)C(O)C1OC(=O)C)C

0 references

found in taxon

soybean

1 reference

stated in

Novel isoflavone, cinnamic acid, and triterpenoid glycosides in soybean molasses

Identifiers

InChI

InChI=1S/C28H28O13/c1-13(29)36-12-23-26(38-14(2)30)25(34)27(39-15(3)31)28(41-23)40-22-10-20-18(9-21(22)35-4)24(33)19(11-37-20)16-5-7-17(32)8-6-16/h5-11,23,25-28,32,34H,12H2,1-4H3

0 references

InChIKey

AAOWDCXVOOKARC-UHFFFAOYSA-N

0 references

2 references

2 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

AAOWDCXVOOKARC-UHFFFAOYSA-N

ChEBI ID

178121

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C28H28O13/c1-13(29)36-12-23-26(38-14(2)30)25(34)27(39-15(3)31)28(41-23)40-22-10-20-18(9-21(22)35-4)24(33)19(11-37-20)16-5-7-17(32)8-6-16/h5-11,23,25-28,32,34H,12H2,1-4H3

1 reference

Human Metabolome Database ID

HMDB0034694

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

AAOWDCXVOOKARC-UHFFFAOYSA-N

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