(Q105215552)

English

(1S,4aR,5R,7S,7aR)-5,7-dihydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

5,7-Dihydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

378.116211524 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₅H₂₂O₁₁

0 references

canonical SMILES

O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C(O)CC(O)C13

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isomeric SMILES

O=C(O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H](O)C[C@@H](O)[C@@H]12

0 references

found in taxon

Phlomoides hamosa

1 reference

stated in

Three novel nortriterpenoids from Notochaete hamosa Benth. (Labiatae)

Identifiers

InChI

InChI=1S/C15H22O11/c16-2-7-10(19)11(20)12(21)15(25-7)26-14-9-6(18)1-5(17)8(9)4(3-24-14)13(22)23/h3,5-12,14-21H,1-2H2,(H,22,23)/t5-,6+,7-,8-,9+,10-,11+,12-,14+,15+/m1/s1

0 references

InChIKey

PVPIPGMAEAJMTH-PFJCPZPZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PVPIPGMAEAJMTH-PFJCPZPZSA-N

(Q105215552)

(1S,4aR,5R,7S,7aR)-5,7-dihydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid

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Identifiers

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