(Q105248971)

English

(13S)-5-[(E)-2,3-dihydroxy-3-methylbut-1-enyl]-6,8,17-trihydroxy-19-methoxy-14,14-dimethyl-3,15-dioxapentacyclo[11.6.1.02,11.04,9.016,20]icosa-1(19),2(11),4,6,8,16(20),17-heptaen-10-one

chemical compound

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instance of

type of chemical entity

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subclass of

5-(2,3-Dihydroxy-3-methylbut-1-enyl)-6,8,17-trihydroxy-19-methoxy-14,14-dimethyl-3,15-dioxapentacyclo[11.6.1.02,11.04,9.016,20]icosa-1(19),2(11),4,6,8,16(20),17-heptaen-10-one

1 reference

based on heuristic

inferred from SMILES

mass

482.157682412 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(13R)-5-[(E)-2,3-dihydroxy-3-methylbut-1-enyl]-6,8,17-trihydroxy-19-methoxy-14,14-dimethyl-3,15-dioxapentacyclo[11.6.1.02,11.04,9.016,20]icosa-1(19),2(11),4,6,8,16(20),17-heptaen-10-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₆H₂₆O₉

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canonical SMILES

O=C1C=2C(O)=CC(O)=C(C=C(O)C(O)(C)C)C2OC=3C=4C(OC)=CC(O)=C5OC(C)(C)C(C54)CC13

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isomeric SMILES

COc1cc(O)c2c3c1-c1oc4c(/C=C(/O)C(C)(C)O)c(O)cc(O)c4c(=O)c1C[C@@H]3C(C)(C)O2

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found in taxon

Artocarpus elasticus

1 reference

stated in

Cytotoxic prenylflavonoids from Artocarpus elasticus

Identifiers

InChI

InChI=1S/C26H26O9/c1-25(2,32)17(30)7-10-13(27)8-14(28)19-21(31)11-6-12-18-20(23(11)34-22(10)19)16(33-5)9-15(29)24(18)35-26(12,3)4/h7-9,12,27-30,32H,6H2,1-5H3/b17-7+/t12-/m0/s1

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InChIKey

SANABEXHOAVUFX-SMWBLXLWSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

SANABEXHOAVUFX-SMWBLXLWSA-N

1 reference

(Q105248971)

(13S)-5-[(E)-2,3-dihydroxy-3-methylbut-1-enyl]-6,8,17-trihydroxy-19-methoxy-14,14-dimethyl-3,15-dioxapentacyclo[11.6.1.02,11.04,9.016,20]icosa-1(19),2(11),4,6,8,16(20),17-heptaen-10-one

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