(Q104251501)

English

Crocin 4

group of stereoisomers with the chemical formula C₂₇H₃₆O₉

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Statements

instance of

group of stereoisomers

0 references

subclass of

chemical compound

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mass

504.235932732 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₆O₉

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canonical SMILES

O=C(OC)C(=CC=CC(=CC=CC=C(C=CC=C(C(=O)OC1OC(CO)C(O)C(O)C1O)C)C)C)C

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isomeric SMILES

COC(=O)/C(C)=C\C=C\C(C)=C\C=C\C=C(C)/C=C/C=C(\C)C(=O)OC1OC(CO)C(O)C(O)C1O

1 reference

4 references

Effects of crocin analogs on ocular blood flow and retinal function

stated in

A quantitative high-performance liquid chromatographic method to analyse commercial saffron (Crocus sativus L.) products.

stated in

Simultaneous quantification of five major biologically active ingredients of saffron by high-performance liquid chromatography

stated in

Quality and functionality of saffron: quality control, species assortment and affinity of extract and isolated saffron compounds to NMDA and sigma-1 receptors

Identifiers

InChI

InChI=1S/C27H36O9/c1-17(12-8-14-19(3)25(32)34-5)10-6-7-11-18(2)13-9-15-20(4)26(33)36-27-24(31)23(30)22(29)21(16-28)35-27/h6-15,21-24,27-31H,16H2,1-5H3/b7-6+,12-8+,13-9+,17-10+,18-11-,19-14-,20-15+

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InChIKey

ATQIQIBBBWQWOT-QNFREAFUSA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

ATQIQIBBBWQWOT-QNFREAFUSA-N

ChEBI ID

191850

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C27H36O9/c1-17(12-8-14-19(3)25(32)34-5)10-6-7-11-18(2)13-9-15-20(4)26(33)36-27-24(31)23(30)22(29)21(16-28)35-27/h6-15,21-24,27-31H,16H2,1-5H3/b7-6+,12-8+,13-9+,17-10+,18-11-,19-14-,20-15+

1 reference

Human Metabolome Database ID

HMDB0039122

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

ATQIQIBBBWQWOT-QNFREAFUSA-N

(Q104251501)

Crocin 4

Statements

Identifiers

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