(Q105001110)

English

3-ethenyl-4-[(7-hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-2-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid

group of stereoisomers with the chemical formula C₃₁H₄₃NO₁₆

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instance of

group of stereoisomers

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subclass of

isoquinoline alkaloid

1 reference

inferred from

isoquinoline alkaloid

mass

685.2581842960001 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₁H₄₃NO₁₆

0 references

canonical SMILES

O=C(O)C1=COC(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(C=C)C1CC4NCCC5=CC(OC)=C(O)C=C54

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Identifiers

InChI

InChI=1S/C31H43NO16/c1-3-13-15(7-17-14-8-18(34)19(43-2)6-12(14)4-5-32-17)16(28(41)42)10-44-29(13)48-31-27(40)25(38)23(36)21(47-31)11-45-30-26(39)24(37)22(35)20(9-33)46-30/h3,6,8,10,13,15,17,20-27,29-40H,1,4-5,7,9,11H2,2H3,(H,41,42)

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InChIKey

FTLMDSQFEONTKX-UHFFFAOYSA-N

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PubChem CID

163076769

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

FTLMDSQFEONTKX-UHFFFAOYSA-N

(Q105001110)

3-ethenyl-4-[(7-hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-2-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid

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