(Q105368818)

English

Hernandifoline

group of stereoisomers with the chemical formula C₂₉H₃₃NO₉

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instance of

group of stereoisomers

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1 reference

1 reference

539.2155316359999 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₉H₃₃NO₉

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canonical SMILES

O=C(OC1CC23C4=C(O)C(OC)=CC=C4C5OC(OC)(C1OC)C3(NCC2)C5)C=CC6=CC=C(OC)C(O)=C6

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isomeric SMILES

COc1ccc(/C=C/C(=O)OC2CC34CCNC35CC(OC5(OC)C2OC)c2ccc(OC)c(O)c24)cc1O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C29H33NO9/c1-34-19-8-5-16(13-18(19)31)6-10-23(32)38-22-14-27-11-12-30-28(27)15-21(39-29(28,37-4)26(22)36-3)17-7-9-20(35-2)25(33)24(17)27/h5-10,13,21-22,26,30-31,33H,11-12,14-15H2,1-4H3/b10-6+

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InChIKey

YYOXLLHHBARIFS-UXBLZVDNSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

YYOXLLHHBARIFS-UXBLZVDNSA-N

1 reference

(Q105368818)

Hernandifoline

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