(Q105144845)

English

(2S,3S,4S,5R,6R)-6-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4-oxochromen-5-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxane-2-carboxylic acid

chemical compound

In more languages

Statements

type of chemical entity

0 references

6-[[6-[2-(3,4-Dihydroxyphenyl)-3,7-dihydroxy-4-oxochromen-5-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,5-dihydroxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxane-2-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

786.185472856 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₃H₃₈O₂₂

0 references

canonical SMILES

O=C(O)C1OC(OCC2OC(OC=3C=C(O)C=C4OC(=C(O)C(=O)C43)C=5C=CC(O)=C(O)C5)C(O)C(O)C2O)C(O)C(OC6OC(C)C(O)C(O)C6O)C1O

0 references

isomeric SMILES

C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](C(=O)O)O[C@@H](OC[C@H]3O[C@@H](Oc4cc(O)cc5oc(-c6ccc(O)c(O)c6)c(O)c(=O)c45)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O

0 references

Pedicularis verticillata

1 reference

Neolignan, phenylpropanoid and iridoid glycosides from Pedicularis verticillata

Identifiers

InChI=1S/C33H38O22/c1-8-17(37)20(40)23(43)32(50-8)54-28-25(45)29(30(47)48)55-31(26(28)46)49-7-15-18(38)21(41)24(44)33(53-15)52-14-6-10(34)5-13-16(14)19(39)22(42)27(51-13)9-2-3-11(35)12(36)4-9/h2-6,8,15,17-18,20-21,23-26,28-29,31-38,40-46H,7H2,1H3,(H,47,48)/t8-,15+,17-,18+,20+,21-,23+,24+,25-,26+,28-,29-,31+,32-,33+/m0/s1

0 references

KQWJDIAXCWPNIF-LMSPLNQWSA-N

0 references

2 references

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

KQWJDIAXCWPNIF-LMSPLNQWSA-N

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