(Q104166385)

English

12a-hydroxypachyrrhizone

group of stereoisomers with the chemical formula C₂₀H₁₄O₈

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Statements

instance of

group of stereoisomers

0 references

1 reference

382.068867408 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₁₄O₈

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canonical SMILES

O=C1C2=CC=3C=COC3C(OC)=C2OC4COC5=CC=6OCOC6C=C5C14O

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found in taxon

Pachyrrhizus erosus

1 reference

stated in

Rotenone isolated from Pachyrhizus erosus displays cytotoxicity and genotoxicity in K562 cells.

Identifiers

InChI

InChI=1S/C20H14O8/c1-23-18-16-9(2-3-24-16)4-10-17(18)28-15-7-25-12-6-14-13(26-8-27-14)5-11(12)20(15,22)19(10)21/h2-6,15,22H,7-8H2,1H3

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InChIKey

DDGYXSWHWAQNRQ-UHFFFAOYSA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

DDGYXSWHWAQNRQ-UHFFFAOYSA-N

ChEBI ID

191831

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C20H14O8/c1-23-18-16-9(2-3-24-16)4-10-17(18)28-15-7-25-12-6-14-13(26-8-27-14)5-11(12)20(15,22)19(10)21/h2-6,15,22H,7-8H2,1H3

1 reference

Human Metabolome Database ID

HMDB0030774

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

DDGYXSWHWAQNRQ-UHFFFAOYSA-N

LIPID MAPS ID

LMPK12060037

1 reference

InChIKey

DDGYXSWHWAQNRQ-UHFFFAOYSA-N

17 April 2021

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

(Q104166385)

12a-hydroxypachyrrhizone

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