arabidopside A (Q27140376)

arabidopside A (English)

7 October 2016

chemical formula

C₄₃H₆₆O₁₂

1 reference

arabidopside A (English)

7 October 2016

canonical SMILES

CCC=CCC1C(C=CC1=O)CCCCCCCC(=O)OCC(COC2C(C(C(C(O2)CO)O)O)O)OC(=O)CCCCCC3C=CC(=O)C3CC=CCC

1 reference

arabidopside A (English)

7 October 2016

isomeric SMILES

CC/C=C\CC1C(C=CC1=O)CCCCCCCC(=O)OC[C@H](CO[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)OC(=O)CCCCCC3C=CC(=O)C3C/C=C\CC

1 reference

arabidopside A (English)

InChI=1S/C43H66O12/c1-3-5-11-19-33-30(23-25-35(33)45)17-13-8-7-9-15-21-38(47)52-28-32(29-53-43-42(51)41(50)40(49)37(27-44)55-43)54-39(48)22-16-10-14-18-31-24-26-36(46)34(31)20-12-6-4-2/h5-6,11-12,23-26,30-34,37,40-44,49-51H,3-4,7-10,13-22,27-29H2,1-2H3/b11-5-,12-6-/t30?,31?,32-,33?,34?,37-,40+,41+,42-,43-/m1/s1

7 October 2016

Identifiers

InChI

1 reference

arabidopside A (English)

FXAOGBMUKJMRHB-GHTRPZKCSA-N

7 October 2016

InChIKey

2 references

arabidopside A (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

arabidopside A (English)

7 October 2016

2 references

arabidopside A (English)

matched by identifier from

7 October 2016

InChIKey

FXAOGBMUKJMRHB-GHTRPZKCSA-N

Reaxys registry number

9608958

1 reference

arabidopside A (English)

7 October 2016

21245872

1 reference

arabidopside A (English)

7 October 2016

11143744

1 reference

arabidopside A (English)

7 October 2016

ChEBI ID

73219

mapping relation type

2 references

arabidopside A (English)