(Q104936911)

English

Excavacoumarin E

group of stereoisomers with the chemical formula C₁₉H₁₈O₆

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instance of

group of stereoisomers

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subclass of

2,6-dimethyloctane monoterpenoid

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inferred from

2,6-dimethyloctane monoterpenoid

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342.11033829599995 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₁₉H₁₈O₆

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canonical SMILES

O=C1OC=2C=C(OCC(O)C(=C)CC3OC(=O)C(=C3)C)C=CC2C=C1

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isomeric SMILES

C=C(CC1C=C(C)C(=O)O1)[C@H](O)COc1ccc2ccc(=O)oc2c1

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Identifiers

InChI

InChI=1S/C19H18O6/c1-11(7-15-8-12(2)19(22)24-15)16(20)10-23-14-5-3-13-4-6-18(21)25-17(13)9-14/h3-6,8-9,15-16,20H,1,7,10H2,2H3/t15?,16-/m1/s1

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InChIKey

BJAAKPBQJCDTGE-OEMAIJDKSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

BJAAKPBQJCDTGE-OEMAIJDKSA-N

1 reference

(Q104936911)

Excavacoumarin E

Statements

Identifiers

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