(Q104924400)

English

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-(7-methoxy-4-oxo-3,5-disulfooxychromen-2-yl)-2-sulfooxyphenoxy]oxane-2-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

flavone

0 references

mass

731.96083528 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₀O₂₂S₃

0 references

canonical SMILES

O=C(O)C1OC(OC=2C=C(C=CC2OS(=O)(=O)O)C=3OC4=CC(OC)=CC(OS(=O)(=O)O)=C4C(=O)C3OS(=O)(=O)O)C(O)C(O)C1O

0 references

isomeric SMILES

COc1cc(OS(=O)(=O)O)c2c(=O)c(OS(=O)(=O)O)c(-c3ccc(OS(=O)(=O)O)c(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)c3)oc2c1

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found in taxon

Tamarix aphylla

1 reference

stated in

Plant constitutents ofTamarix aphylla flowers (Tamaricaceae)

Identifiers

InChI

InChI=1S/C22H20O22S3/c1-38-8-5-11-13(12(6-8)43-46(32,33)34)14(23)19(44-47(35,36)37)18(39-11)7-2-3-9(42-45(29,30)31)10(4-7)40-22-17(26)15(24)16(25)20(41-22)21(27)28/h2-6,15-17,20,22,24-26H,1H3,(H,27,28)(H,29,30,31)(H,32,33,34)(H,35,36,37)/t15-,16-,17+,20-,22+/m0/s1

0 references

InChIKey

BDLZZWXHVPQDMW-NTKSAMNMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BDLZZWXHVPQDMW-NTKSAMNMSA-N

1 reference

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

retrieved

15 January 2022

InChIKey

BDLZZWXHVPQDMW-NTKSAMNMSA-N

(Q104924400)

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-(7-methoxy-4-oxo-3,5-disulfooxychromen-2-yl)-2-sulfooxyphenoxy]oxane-2-carboxylic acid

Statements

Identifiers

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