| Name |
Guajavin A |
| Formula |
C56H40O32 |
| Mw |
1224.15026919 |
| CAS RN |
145826-24-0 |
| C_ID |
C00009340
, 
|
| InChIKey |
QJOSZTCZZUNIRY-RIQQRHJWNA-N |
| InChICode |
InChI=1S/C56H40O32/c57-17-9-18(58)31(48-13(17)5-26(66)47(85-48)11-1-19(59)36(67)20(60)2-11)34-33-35-32(44(75)46(77)45(33)76)30-16(8-25(65)40(71)43(30)74)55(81)88-51(50(34)87-56(35)82)49-27(84-52(78)12-3-21(61)37(68)22(62)4-12)10-83-53(79)14-6-23(63)38(69)41(72)28(14)29-15(54(80)86-49)7-24(64)39(70)42(29)73/h1-4,6-9,26-27,34,47,49-51,57-77H,5,10H2/t26-,27-,34-,47-,49+,50-,51-/m0/s1 |
| SMILES |
[C@H]1([C@H]2[C@@H]3[C@H](c4c(O)c(c(c(c5c(C(=O)O2)cc(c(c5O)O)O)c4C(=O)O3)O)O)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. |
|
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