(Q105158272)

English

[11-(4-Hydroxycyclohexa-2,5-dien-1-ylidene)-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-1-yl] hydrogen sulfate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

alkaloid

0 references

mass

376.10929274 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₈H₂₀N₂O₅S

0 references

canonical SMILES

O=S(=O)(O)OC1=CC(=CC2=C1C(=C3C=CC(O)C=C3)N4N2CCCC4)C

0 references

found in taxon

Nigella sativa

1 reference

stated in

Nigellidine-4-O-sulfite, the first sulfated indazole-type alkaloid from the seeds of Nigella sativa

Identifiers

InChI

InChI=1S/C18H20N2O5S/c1-12-10-15-17(16(11-12)25-26(22,23)24)18(13-4-6-14(21)7-5-13)20-9-3-2-8-19(15)20/h4-7,10-11,14,21H,2-3,8-9H2,1H3,(H,22,23,24)

0 references

InChIKey

LWGMKXAQWVMFAL-UHFFFAOYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LWGMKXAQWVMFAL-UHFFFAOYSA-N

(Q105158272)

[11-(4-Hydroxycyclohexa-2,5-dien-1-ylidene)-3-methyl-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-1-yl] hydrogen sulfate

Statements

Identifiers

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