(Q104945382)

English

(4R,9S)-12,19,21-trihydroxy-5,5,9-trimethyl-10,15,24-trioxahexacyclo[12.11.0.0²,¹¹.0⁴,⁹.0¹⁶,²⁵.0¹⁸,²³]pentacosa-1(14),2(11),12,16(25),18,20,22-heptaen-17-one

chemical compound

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instance of

type of chemical entity

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subclass of

12,19,21-trihydroxy-5,5,9-trimethyl-10,15,24-trioxahexacyclo[12.11.0.0²,¹¹.0⁴,⁹.0¹⁶,²⁵.0¹⁸,²³]pentacosa-1(14),2(11),12,16(25),18,20,22-heptaen-17-one

1 reference

based on heuristic

inferred from SMILES

mass

436.152203108 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₅H₂₄O₇

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canonical SMILES

O=C1C=2OC3=CC(O)=C4OC5(C)CCCC(C)(C)C5CC4=C3C2OC=6C=C(O)C=C(O)C16

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isomeric SMILES

CC1(C)CCC[C@]2(C)Oc3c(O)cc4oc5c(=O)c6c(O)cc(O)cc6oc5c4c3C[C@H]12

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found in taxon

Helminthostachys zeylanica

1 reference

stated in

Anti-inflammatory flavonoids from the rhizomes of Helminthostachys zeylanica.

Identifiers

InChI

InChI=1S/C25H24O7/c1-24(2)5-4-6-25(3)17(24)9-12-18-16(10-14(28)21(12)32-25)31-23-20(29)19-13(27)7-11(26)8-15(19)30-22(18)23/h7-8,10,17,26-28H,4-6,9H2,1-3H3/t17-,25+/m1/s1

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InChIKey

BSQVPHTUBYDQRC-NSYGIPOTSA-N

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(Q104945382)

(4R,9S)-12,19,21-trihydroxy-5,5,9-trimethyl-10,15,24-trioxahexacyclo[12.11.0.0²,¹¹.0⁴,⁹.0¹⁶,²⁵.0¹⁸,²³]pentacosa-1(14),2(11),12,16(25),18,20,22-heptaen-17-one

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