(Q104991976)

English

(1R,2R,4E,6S,7S,9S,13Z)-6,7,10-trihydroxy-4,13-bis[(2E,4E)-1-hydroxyhexa-2,4-dien-1-ylidene]-2,6,9,11-tetramethyl-8-oxatricyclo[7.4.0.0²,⁷]tridec-10-ene-3,5,12-trione

chemical compound

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instance of

type of chemical entity

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subclass of

6,7,10-trihydroxy-4-(1-hydroxyhexa-2,4-dien-1-ylidene)-13-[(2E,4E)-1-hydroxyhexa-2,4-dien-1-ylidene]-2,6,9,11-tetramethyl-8-oxatricyclo[7.4.0.0²,⁷]tridec-10-ene-3,5,12-trione

1 reference

based on heuristic

inferred from SMILES

mass

512.204632604 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1R,2R,4Z,6S,7S,9S,13Z)-6,7,10-trihydroxy-4,13-bis[(2E,4E)-1-hydroxyhexa-2,4-dien-1-ylidene]-2,6,9,11-tetramethyl-8-oxatricyclo[7.4.0.0²,⁷]tridec-10-ene-3,5,12-trione

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₈H₃₂O₉

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canonical SMILES

O=C1C(=C(O)C2(OC3(O)C(O)(C(=O)C(=C(O)C=CC=CC)C(=O)C3(C)C2C1=C(O)C=CC=CC)C)C)C

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isomeric SMILES

C/C=C/C=C/C(O)=C1/C(=O)C(C)=C(O)[C@@]2(C)O[C@@]3(O)[C@@](C)(C(=O)/C(=C(O)/C=C/C=C/C)C(=O)[C@]3(C)O)[C@@H]12

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found in taxon

Penicillium chrysogenum

1 reference

stated in

The first sorbicillinoid alkaloids, the antileukemic sorbicillactones A and B, from a sponge-derived Penicillium chrysogenum strain

Identifiers

InChI

InChI=1S/C28H32O9/c1-7-9-11-13-16(29)18-20(31)15(3)22(32)26(5)21(18)25(4)23(33)19(17(30)14-12-10-8-2)24(34)27(6,35)28(25,36)37-26/h7-14,21,29-30,32,35-36H,1-6H3/b9-7+,10-8+,13-11+,14-12+,18-16+,19-17+/t21-,25-,26+,27+,28+/m1/s1

(Q104991976)

(1R,2R,4E,6S,7S,9S,13Z)-6,7,10-trihydroxy-4,13-bis[(2E,4E)-1-hydroxyhexa-2,4-dien-1-ylidene]-2,6,9,11-tetramethyl-8-oxatricyclo[7.4.0.0²,⁷]tridec-10-ene-3,5,12-trione

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