Zederone (Q27151415)

5,9,14-Trimethyl-4,12-dioxa-tricyclo[9.3.0.0^3,5^]tetradeca-1(11),8,13-trien-2-one

(1aR,4Z,10aS)-1a,5,9-Trimethyl-1a,3,6,10a-tetrahydrooxireno[4,5]cyclodeca[1,2-b]furan-10(2H)-one (English)

8 October 2016

1 reference

1 reference

1 reference

Oxireno(4,5)cyclodeca(1,2-b)furan-10(2H)-one, 1a,3,6,10a-tetrahydro-1a,5,9-trimethyl-, (1aR,4E,10aR)-

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₅H₁₈O₃

0 references

canonical SMILES

CC1=C(CCC2(C)C(C(C=3C(C)=COC3C1)=O)(O2)[H])[H]

1 reference

Zederone (English)

8 October 2016

C/C/1=C(/CC[C@]2(C)[C@@](C(C=3C(C)=COC3C1)=O)(O2)[H])\[H]

1 reference

InChI=1S/C15H18O3/c1-9-5-4-6-15(3)14(18-15)13(16)12-10(2)8-17-11(12)7-9/h5,8,14H,4,6-7H2,1-3H3/b9-5-/t14-,15-/m1/s1

Zederone (English)

retrieved

8 October 2016

Identifiers

InChI

1 reference

CVIVANCKIBYAOP-LGIYYPAKSA-N

Zederone (English)

8 October 2016

2 references

Zederone (English)

8 October 2016

ChEBI release 2020-09-01

1 reference

matched by identifier from

(1aR,4Z,10aS)-1a,5,9-Trimethyl-1a,3,6,10a-tetrahydrooxireno[4,5]cyclodeca[1,2-b]furan-10(2H)-one (English)

8 October 2016

2 references

26 December 2021

InChIKey

CVIVANCKIBYAOP-LGIYYPAKSA-N

ChEBI ID

80915

mapping relation type

2 references

matched by identifier from

Zederone (English)

retrieved

8 October 2016

International Chemical Identifier

InChI

InChI=1S/C15H18O3/c1-9-5-4-6-15(3)14(18-15)13(16)12-10(2)8-17-11(12)7-9/h5,8,14H,4,6-7H2,1-3H3/b9-5-/t14-,15-/m1/s1

1 reference

0 references

Human Metabolome Database ID

HMDB0036767

reason for deprecated rank

cannot be confirmed by other sources

0 references

1 reference