(Q104909828)

English

1-[1,5-dihydroxy-3-methyl-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]oxynaphthalen-2-yl]ethanone

chemical compound

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instance of

type of chemical entity

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subclass of

1-[1,5-Dihydroxy-3-methyl-8-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxynaphthalen-2-yl]ethanone

1 reference

based on heuristic

inferred from SMILES

mass

540.184291084 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₂O₁₃

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canonical SMILES

O=C(C1=C(O)C=2C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)=CC=C(O)C2C=C1C)C

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isomeric SMILES

CC(=O)c1c(C)cc2c(O)ccc(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)c2c1O

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found in taxon

Hemerocallis fulva

1 reference

stated in

Kwanzoquinones A–G and other constituents of Hemerocallis fulva ‘Kwanzo’ roots and their activity against the human pathogenic trematode Schistosoma mansoni

Identifiers

InChI

InChI=1S/C25H32O13/c1-8-6-11-12(27)4-5-13(16(11)19(30)15(8)9(2)26)37-25-23(34)21(32)18(29)14(38-25)7-35-24-22(33)20(31)17(28)10(3)36-24/h4-6,10,14,17-18,20-25,27-34H,7H2,1-3H3/t10-,14+,17-,18+,20+,21-,22+,23+,24+,25+/m0/s1

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InChIKey

ADVLPVVPEXVVLA-NQZNOHQWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ADVLPVVPEXVVLA-NQZNOHQWSA-N

(Q104909828)

1-[1,5-dihydroxy-3-methyl-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]oxynaphthalen-2-yl]ethanone

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