(Q105016870)

English

Sanshodiol

group of stereoisomers with the chemical formula C₂₀H₂₂O₆

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

358.141638424 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₂O₆

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canonical SMILES

OC1=CC=C(C=C1OC)C2OCC(CC3=CC=C4OCOC4=C3)C2CO

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found in taxon

Zanthoxylum nitidum

1 reference

stated in

Studies on Xanthoxylun spp. II. Constituents of the bark of Xanthoxylum piperitum DC.

Zanthoxylum piperitum

1 reference

stated in

Studies on Xanthoxylun spp. II. Constituents of the bark of Xanthoxylum piperitum DC.

Identifiers

InChI

InChI=1S/C20H22O6/c1-23-18-8-13(3-4-16(18)22)20-15(9-21)14(10-24-20)6-12-2-5-17-19(7-12)26-11-25-17/h2-5,7-8,14-15,20-22H,6,9-11H2,1H3

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InChIKey

GRYMYKQGSSTJBA-UHFFFAOYSA-N

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CAS Registry Number

54854-91-0

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stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

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17 September 2022

inferred from InChIKey

ChEBI ID

175604

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C20H22O6/c1-23-18-8-13(3-4-16(18)22)20-15(9-21)14(10-24-20)6-12-2-5-17-19(7-12)26-11-25-17/h2-5,7-8,14-15,20-22H,6,9-11H2,1H3

1 reference

1 reference

matched by identifier from

InChIKey

GRYMYKQGSSTJBA-UHFFFAOYSA-N

Human Metabolome Database ID

HMDB0030573

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

GRYMYKQGSSTJBA-UHFFFAOYSA-N

KNApSAcK ID

C00057434

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

GRYMYKQGSSTJBA-UHFFFAOYSA-N

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