(Q123485762)

English

chaetoxanthone D

chemical compound

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Statements

type of chemical entity

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biogenic xanthone

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based on heuristic

inferred from SMILES

chemical structure

Chaetoxanthone D.svg
513 × 483; 26 KB

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370.141638424 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₂O₆

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based on heuristic

inferred from SMILES

canonical SMILES

O=C1C=2C(OC=3C1=C(O)C=C(OC)C3C4OC(C)CCC4)=CC=CC2OC

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isomeric SMILES

O(C)C=1C(=C2C(C(=O)C=3C(O2)=CC=CC3OC)=C(O)C1)[C@@H]4O[C@H](C)CCC4

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Identifiers

InChI=1S/C21H22O6/c1-11-6-4-8-15(26-11)19-16(25-3)10-12(22)17-20(23)18-13(24-2)7-5-9-14(18)27-21(17)19/h5,7,9-11,15,22H,4,6,8H2,1-3H3/t11-,15-/m1/s1

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MUBFTAAOQKTFBO-IAQYHMDHSA-N

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CAS Registry Number

1 reference

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