CID 4303225
(+/-)-sigmoidin a
Structural Information
- Molecular Formula
- C25H28O6
- SMILES
- CC(=CCC1=CC(=C(C(=C1O)O)CC=C(C)C)C2CC(=O)C3=C(C=C(C=C3O2)O)O)C
- InChI
- InChI=1S/C25H28O6/c1-13(2)5-7-15-9-18(17(8-6-14(3)4)25(30)24(15)29)21-12-20(28)23-19(27)10-16(26)11-22(23)31-21/h5-6,9-11,21,26-27,29-30H,7-8,12H2,1-4H3
- InChIKey
- BVHLNRAYBCPKOY-UHFFFAOYSA-N
- Compound name
- 2-[3,4-dihydroxy-2,5-bis(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 425.19588 | 203.9 |
[M+Na]+ | 447.17782 | 210.0 |
[M-H]- | 423.18132 | 207.0 |
[M+NH4]+ | 442.22242 | 211.5 |
[M+K]+ | 463.15176 | 205.5 |
[M+H-H2O]+ | 407.18586 | 196.4 |
[M+HCOO]- | 469.18680 | 213.7 |
[M+CH3COO]- | 483.20245 | 226.2 |
[M+Na-2H]- | 445.16327 | 198.8 |
[M]+ | 424.18805 | 204.5 |
[M]- | 424.18915 | 204.5 |