(Q105344857)

English

[(1S)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-hydroxy-4-methylpentyl] 3-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2,6-dimethyloctane monoterpenoid

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biogenic naphthochinone

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mass

388.152203108 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₄O₇

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canonical SMILES

O=C(OC(C1=CC(=O)C=2C(O)=CC=C(O)C2C1=O)CCC(O)(C)C)C=C(C)C

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isomeric SMILES

CC(C)=CC(=O)O[C@@H](CCC(C)(C)O)C1=CC(=O)c2c(O)ccc(O)c2C1=O

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found in taxon

Arnebia speciosa

1 reference

stated in

Naphthaquinones of Arnebia nobilis

Identifiers

InChI

InChI=1S/C21H24O7/c1-11(2)9-17(25)28-16(7-8-21(3,4)27)12-10-15(24)18-13(22)5-6-14(23)19(18)20(12)26/h5-6,9-10,16,22-23,27H,7-8H2,1-4H3/t16-/m0/s1

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InChIKey

XZDWDACMRHBQDH-INIZCTEOSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XZDWDACMRHBQDH-INIZCTEOSA-N

(Q105344857)

[(1S)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-hydroxy-4-methylpentyl] 3-methylbut-2-enoate

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Identifiers

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