(Q105167623)

English

methyl 4-[(2-acetyl-6-hydroxy-7-methoxy-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-3-ethenyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate

group of stereoisomers with the chemical formula C₂₈H₃₇NO₁₂

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Statements

instance of

group of stereoisomers

0 references

subclass of

isoquinoline alkaloid

1 reference

inferred from

isoquinoline alkaloid

mass

579.231575624 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₇NO₁₂

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canonical SMILES

O=C(OC)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(C=C)C1CC3C4=CC(OC)=C(O)C=C4CCN3C(=O)C

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found in taxon

Carapichea klugii

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stated in

Is a metabolic enzyme complex involved in the efficient and accurate control of Ipecac alkaloid biosynthesis in Psychotria ipecacuanha?

Carapichea ipecacuanha

1 reference

stated in

Antiparasitic alkaloids from Psychotria klugii.

Identifiers

InChI

InChI=1S/C28H37NO12/c1-5-15-17(9-19-16-10-21(37-3)20(32)8-14(16)6-7-29(19)13(2)31)18(26(36)38-4)12-39-27(15)41-28-25(35)24(34)23(33)22(11-30)40-28/h5,8,10,12,15,17,19,22-25,27-28,30,32-35H,1,6-7,9,11H2,2-4H3

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InChIKey

MMDKNWPBIGPCLV-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MMDKNWPBIGPCLV-UHFFFAOYSA-N

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