(Q105219956)

English

5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one

chemical compound

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instance of

type of chemical entity

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subclass of

5,7-Dihydroxy-2-(4-hydroxyphenyl)-8-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one

1 reference

based on heuristic

inferred from SMILES

mass

594.15847026 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₀O₁₅

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canonical SMILES

O=C1C=C(OC=2C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)=C(O)C=C(O)C12)C=5C=CC(O)=CC5

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isomeric SMILES

C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O

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found in taxon

Piper umbellatum

1 reference

stated in

Bioactive aristolactams from Piper umbellatum

Identifiers

InChI

InChI=1S/C27H30O15/c1-9-18(32)20(34)22(36)26(39-9)38-8-16-19(33)21(35)23(37)27(41-16)42-24-14(31)6-12(29)17-13(30)7-15(40-25(17)24)10-2-4-11(28)5-3-10/h2-7,9,16,18-23,26-29,31-37H,8H2,1H3/t9-,16+,18-,19+,20+,21-,22+,23+,26+,27-/m0/s1

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InChIKey

QGDKAIBUSSLRLU-ZMAWWSRHSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105219956)

5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one

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