CID 5320644
Podocarpusflavone a
Structural Information
- Molecular Formula
- C31H20O10
- SMILES
- COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O
- InChI
- InChI=1S/C31H20O10/c1-39-17-5-2-14(3-6-17)25-13-24(38)30-22(36)11-21(35)28(31(30)41-25)18-8-15(4-7-19(18)33)26-12-23(37)29-20(34)9-16(32)10-27(29)40-26/h2-13,32-36H,1H3
- InChIKey
- RBTRUVNXLDXHBJ-UHFFFAOYSA-N
- Compound name
- 8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 553.11293 | 234.8 |
[M+Na]+ | 575.09487 | 245.0 |
[M-H]- | 551.09837 | 246.7 |
[M+NH4]+ | 570.13947 | 234.8 |
[M+K]+ | 591.06881 | 244.4 |
[M+H-H2O]+ | 535.10291 | 221.2 |
[M+HCOO]- | 597.10385 | 247.0 |
[M+CH3COO]- | 611.11950 | 241.8 |
[M+Na-2H]- | 573.08032 | 235.9 |
[M]+ | 552.10510 | 242.3 |
[M]- | 552.10620 | 242.3 |