| Name |
Psiguavin |
| Formula |
C55H34O31 |
| Mw |
1190.10840438 |
| CAS RN |
145826-29-5 |
| C_ID |
C00009337
, 
|
| InChIKey |
FBMMPPRXNHNHJR-JWRTWFEKNA-N |
| InChICode |
InChI=1S/C55H34O31/c56-13-6-14(57)24-26-27-30-31(55(47(27)72)46-12(5-20(62)54(46,79)53(78)86-55)41-18(61)1-8(13)42(24)82-41)29-28-25(38(69)40(71)39(29)70)23-11(4-17(60)34(65)37(23)68)49(74)81-19-7-80-48(73)9-2-15(58)32(63)35(66)21(9)22-10(3-16(59)33(64)36(22)67)50(75)83-43(19)45(85-51(28)76)44(26)84-52(30)77/h2-6,18-19,26,31,41,43-46,56-61,63-71,79H,1,7H2/t18-,19+,26-,31+,41+,43+,44-,45-,46+,54+,55-/m0/s1 |
| SMILES |
O=C1O[C@@H]2[C@H]3OC(=O)c4c(c(O)c(O)c(O)c4[C@@H]4C1=C1C(=O)[C@]45OC(=O)[C@@]4(O)C(=O)C=C([C@H]6Oc7c(c(O)cc(O)c7[C@@H]12)C[C@@H]6O)[C@H]45)-c1c(cc(O)c(O)c1O)C(=O)O[C@@H]1COC(=O)c2cc(O)c(O)c(O)c2-c2c(cc(O)c(O)c2O)C(=O)O[C@@H]31 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Myrtaceae | Psidium guajava  | Ref. |
|
|
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