(Q82915014)

English

Spinosine

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

berberine alkaloids

0 references

mass

327.147058152 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₉H₂₁NO₄

0 references

canonical SMILES

OC=1C=C2C(=CC1O)CC3C4=CC(OC)=C(OC)C=C4CCN3C2

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isomeric SMILES

COc1cc2c(cc1OC)[C@@H]1Cc3cc(O)c(O)cc3CN1CC2

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found in taxon

Annona spinescens

2 references

stated in

Pessoine and spinosine, two catecholic berbines from Annona spinescens

stated in

Pessoine and spinosine, two catecholic berbines from Annona spinescens

Identifiers

InChI

InChI=1S/C19H21NO4/c1-23-18-8-11-3-4-20-10-13-7-17(22)16(21)6-12(13)5-15(20)14(11)9-19(18)24-2/h6-9,15,21-22H,3-5,10H2,1-2H3/t15-/m0/s1

0 references

InChIKey

VAKIESMDOCVMDV-HNNXBMFYSA-N

0 references

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VAKIESMDOCVMDV-HNNXBMFYSA-N

ChEBI ID

191167

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C19H21NO4/c1-23-18-8-11-3-4-20-10-13-7-17(22)16(21)6-12(13)5-15(20)14(11)9-19(18)24-2/h6-9,15,21-22H,3-5,10H2,1-2H3/t15-/m0/s1

SureChEMBL ID

SCHEMBL123459

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

VAKIESMDOCVMDV-HNNXBMFYSA-N

1 reference

1 reference

matched by identifier from

InChIKey

VAKIESMDOCVMDV-HNNXBMFYSA-N

DSSTOX compound identifier

DTXCID801367162

0 references

(Q82915014)

Spinosine

Statements

Identifiers

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