(Q105216486)

English

(9R *)-8-methyl-9,11-dichlorodiaporthin

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

3-(1,3-dichloro-2-hydroxypropyl)-6,8-dimethoxyisochromen-1-one

1 reference

based on heuristic

inferred from SMILES

mass

332.021828908 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(9S *)-8-methyl-9,11-dichlorodiaporthin

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₄H₁₄Cl₂O₅

0 references

canonical SMILES

O=C1OC(=CC=2C=C(OC)C=C(OC)C12)C(Cl)C(O)CCl

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isomeric SMILES

COc1cc(OC)c2c(=O)oc([C@H](Cl)[C@@H](O)CCl)cc2c1

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found in taxon

Hamigera fusca

1 reference

stated in

Non-geminal Aliphatic Dihalogenation Pattern in Dichlorinated Diaporthins from Hamigera fusca NRRL 35721

Identifiers

InChI

InChI=1S/C14H14Cl2O5/c1-19-8-3-7-4-11(13(16)9(17)6-15)21-14(18)12(7)10(5-8)20-2/h3-5,9,13,17H,6H2,1-2H3/t9-,13+/m0/s1

0 references

InChIKey

PXZNVKGVHPZSHR-TVQRCGJNSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PXZNVKGVHPZSHR-TVQRCGJNSA-N

ChEBI ID

209762

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C14H14Cl2O5/c1-19-8-3-7-4-11(13(16)9(17)6-15)21-14(18)12(7)10(5-8)20-2/h3-5,9,13,17H,6H2,1-2H3/t9-,13+/m0/s1

1 reference

Natural Product Atlas ID

NPA022700

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

PXZNVKGVHPZSHR-TVQRCGJNSA-N

(Q105216486)

(9R *)-8-methyl-9,11-dichlorodiaporthin

Statements

Identifiers

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