(Q105142926)

English

KMDDHJUXLXBOFN-HOEBFWFUSA-N

group of stereoisomers with the chemical formula C₄₂H₄₈N₄O₇

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Statements

instance of

group of stereoisomers

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subclass of

echitamine-type alkaloid

1 reference

inferred from

echitamine-type alkaloid

mass

720.352299876 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₂H₄₈N₄O₇

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canonical SMILES

O=C1C=C2C(=NC34N5CC(=CC)C(CC3)C(C(=O)OC)C24CC5)C=C1C=6C=C7C(=CC6OC)N(C)C8C9N%10CCC78C(C(=O)OC)C(C9)C%11(OC%11C)C%10

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isomeric SMILES

C/C=C1/CN2CCC34C5=CC(=O)C(c6cc7c(cc6OC)N(C)C6C8CC9C(C(=O)OC)C76CCN8CC96OC6C)=CC5=NC23CCC1C4C(=O)OC

1 reference

1 reference

Novel Indole Alkaloids from the Leaves of Rauwolfia sumatrana JACK. in Thailand.

Identifiers

InChI

InChI=1S/C42H48N4O7/c1-7-22-19-46-13-11-40-26-17-32(47)24(15-29(26)43-42(40,46)9-8-23(22)34(40)37(48)51-5)25-14-27-30(18-33(25)50-4)44(3)36-31-16-28-35(38(49)52-6)39(27,36)10-12-45(31)20-41(28)21(2)53-41/h7,14-15,17-18,21,23,28,31,34-36H,8-13,16,19-20H2,1-6H3/b22-7-

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InChIKey

KMDDHJUXLXBOFN-HOEBFWFUSA-N

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(Q105142926)

KMDDHJUXLXBOFN-HOEBFWFUSA-N

Statements

Identifiers

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