| Name |
Guavin C |
| Formula |
C56H40O33 |
| Mw |
1240.14518381 |
| CAS RN |
105581-31-5 |
| C_ID |
C00009365
, 
|
| InChIKey |
IPRCRGQCSFYRPQ-IZJZVLARNA-N |
| InChICode |
InChI=1S/C56H40O33/c57-17-9-18(58)31(44-13(17)5-26(66)43(85-44)11-1-19(59)36(67)20(60)2-11)32-33-34-35-30-16(8-25(65)40(71)46(30)89-56(35,82)55(80,81)49(33)74)53(78)88-48(47(32)87-54(34)79)45-27(84-50(75)12-3-21(61)37(68)22(62)4-12)10-83-51(76)14-6-23(63)38(69)41(72)28(14)29-15(52(77)86-45)7-24(64)39(70)42(29)73/h1-4,6-9,26-27,32,35,43,45,47-48,57-73,80-82H,5,10H2/t26-,27+,32-,35+,43-,45+,47-,48-,56-/m0/s1 |
| SMILES |
[C@H]1([C@H]2[C@@H]3[C@H](C4=C([C@H]5c6c(C(=O)O2)cc(c(c6O[C@@]5(C(C4=O)(O)O)O)O)O)C(=O)O3)c2c(cc(c3c2O[C@H]([C@H](C3)O)c2cc(c(c(c2)O)O)O)O)O)[C@H](OC(=O)c2cc(c(c(c2)O)O)O)COC(=O)c2c(c(c(c(c2)O)O)O)c2c(cc(c(c2O)O)O)C(=O)O1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Myrtaceae | Psidium guajava  | Ref. |
|
|
zoom in
|
