(Q104921838)

English

1-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-6,8-dihydroxy-3-{[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]oxy}-2-methoxyxanthen-9-one

chemical compound

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Statements

type of chemical entity

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2,6-dimethyloctane monoterpenoid

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biogenic xanthone

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494.230453428 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₉H₃₄O₇

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canonical SMILES

O=C1C=2C(O)=CC(O)=CC2OC=3C=C(OCC=C(C)CO)C(OC)=C(C13)CC=C(C)CCC=C(C)C

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isomeric SMILES

COc1c(OC/C=C(\C)CO)cc2oc3cc(O)cc(O)c3c(=O)c2c1C/C=C(\C)CCC=C(C)C

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based on heuristic

inferred from InChI

Garcinia pyrifera

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Xanthones from three Garcinia species

Identifiers

InChI=1S/C29H34O7/c1-17(2)7-6-8-18(3)9-10-21-26-24(15-25(29(21)34-5)35-12-11-19(4)16-30)36-23-14-20(31)13-22(32)27(23)28(26)33/h7,9,11,13-15,30-32H,6,8,10,12,16H2,1-5H3/b18-9+,19-11+

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AZOVHLSPQFLBKM-ZYCAGONGSA-N

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