arabidopside B (Q27140377)

arabidopside B (English)

7 October 2016

chemical formula

C₄₅H₇₀O₁₂

1 reference

arabidopside B (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)CCCCCCCC3C=CC(=O)C3CC=CCC

1 reference

arabidopside B (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)CCCCCCCC3C=CC(=O)C3C/C=C\CC

1 reference

arabidopside B (English)

InChI=1S/C45H70O12/c1-3-5-13-21-35-32(25-27-37(35)47)19-15-9-7-11-17-23-40(49)54-30-34(31-55-45-44(53)43(52)42(51)39(29-46)57-45)56-41(50)24-18-12-8-10-16-20-33-26-28-38(48)36(33)22-14-6-4-2/h5-6,13-14,25-28,32-36,39,42-46,51-53H,3-4,7-12,15-24,29-31H2,1-2H3/b13-5-,14-6-/t32?,33?,34-,35?,36?,39-,42+,43+,44-,45-/m1/s1

7 October 2016

Identifiers

InChI

1 reference

arabidopside B (English)

SYJOSMLJXIQXFJ-BIZWRPQDSA-N

7 October 2016

InChIKey

2 references

arabidopside B (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

Arabidopside B (English)

7 October 2016

2 references

arabidopside B (English)

matched by identifier from

7 October 2016

InChIKey

SYJOSMLJXIQXFJ-BIZWRPQDSA-N

Reaxys registry number

9609172

1 reference

arabidopside B (English)

7 October 2016

21245874

1 reference

arabidopside B (English)

7 October 2016

11143745

1 reference

arabidopside B (English)

7 October 2016

ChEBI ID

73220

mapping relation type

2 references

arabidopside B (English)