| Name |
Guavin A |
| Formula |
C56H40O32 |
| Mw |
1224.15026919 |
| CAS RN |
105581-34-8 |
| C_ID |
C00009364
, 
|
| InChIKey |
DOMGXWDOTMOBEH-VVDYCGINNA-N |
| InChICode |
InChI=1S/C56H40O32/c57-18-2-1-12(3-20(18)59)43-27(66)6-14-19(58)10-21(60)32(44(14)84-43)33-34-35-36-31-17(9-26(65)40(70)46(31)88-56(36,81)55(79,80)49(34)73)53(77)87-48(47(33)86-54(35)78)45-28(83-50(74)13-4-22(61)37(67)23(62)5-13)11-82-51(75)15-7-24(63)38(68)41(71)29(15)30-16(52(76)85-45)8-25(64)39(69)42(30)72/h1-5,7-10,27-28,33,36,43,45,47-48,57-72,79-81H,6,11H2/t27-,28+,33-,36+,43+,45-,47-,48+,56+/m1/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(cc2)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. |
|
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