(Q105246483)

English

(2S,3S,4S,5R,6S)-6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)-2,5-dihydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

6-[4-(5,7-Dihydroxy-4-oxochromen-2-yl)-2,5-dihydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

478.074740636 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₁₈O₁₃

0 references

canonical SMILES

O=C(O)C1OC(OC2=CC(O)=C(C=C2O)C=3OC=4C=C(O)C=C(O)C4C(=O)C3)C(O)C(O)C1O

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isomeric SMILES

O=C(O)[C@H]1O[C@@H](Oc2cc(O)c(-c3cc(=O)c4c(O)cc(O)cc4o3)cc2O)[C@H](O)[C@@H](O)[C@@H]1O

0 references

found in taxon

Adonis aleppica

2 references

stated in

Phenolic glycosides from Adonis aleppica

stated in

Phenolic glycosides from Adonis aleppica

Identifiers

InChI

InChI=1S/C21H18O13/c22-6-1-10(25)15-11(26)5-12(32-14(15)2-6)7-3-9(24)13(4-8(7)23)33-21-18(29)16(27)17(28)19(34-21)20(30)31/h1-5,16-19,21-25,27-29H,(H,30,31)/t16-,17-,18+,19-,21+/m0/s1

0 references

InChIKey

RWFFSMNHMCPJTQ-ZFORQUDYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RWFFSMNHMCPJTQ-ZFORQUDYSA-N

1 reference

1 reference

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

retrieved

15 January 2022

InChIKey

RWFFSMNHMCPJTQ-ZFORQUDYSA-N

(Q105246483)

(2S,3S,4S,5R,6S)-6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)-2,5-dihydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

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Identifiers

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