(Q105176753)

English

14-hydroxy-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,5-dioxa-10-azapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(18),2(6),7,11(19),12,14,16-heptaen-9-one

chemical compound

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type of chemical entity

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subclass of

14-Hydroxy-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,5-dioxa-10-azapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(18),2(6),7,11(19),12,14,16-heptaen-9-one

1 reference

based on heuristic

inferred from SMILES

mass

441.105981188 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₁₉NO₉

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canonical SMILES

O=C1C2=CC=3OCOC3C4=C5C=CC=C(O)C5=CC(=C24)N1C6OC(CO)C(O)C(O)C6O

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isomeric SMILES

O=C1c2cc3c(c4c2c(cc2c(O)cccc24)N1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OCO3

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found in taxon

Aristolochia heterophylla

1 reference

stated in

The constituents of the root and stem of Aristolochia heterophylla Hemsl

Aristolochia kaempferi

1 reference

stated in

The constituents of the root and stem of Aristolochia heterophylla Hemsl

Aristolochia mollissima

1 reference

stated in

Constituents of the roots and stems of Aristolochia mollissima

Isotrema mollissimum

1 reference

stated in

Constituents of the roots and stems of Aristolochia mollissima

Identifiers

InChI

InChI=1S/C22H19NO9/c24-6-14-17(26)18(27)19(28)22(32-14)23-11-4-9-8(2-1-3-12(9)25)16-15(11)10(21(23)29)5-13-20(16)31-7-30-13/h1-5,14,17-19,22,24-28H,6-7H2/t14-,17-,18+,19-,22-/m1/s1

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InChIKey

NBGDFNYQBMENCR-MAEOEUOPSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NBGDFNYQBMENCR-MAEOEUOPSA-N

(Q105176753)

14-hydroxy-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,5-dioxa-10-azapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(18),2(6),7,11(19),12,14,16-heptaen-9-one

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