| Name |
Guajavin B |
| Formula |
C56H38O32 |
| Mw |
1222.13461913 |
| CAS RN |
145826-23-9 |
| C_ID |
C00009338
, 
|
| InChIKey |
YRBMKGMWALNDRF-YVXIZXMDNA-N |
| InChICode |
InChI=1S/C56H38O32/c57-14-7-21-10(3-20(63)48(84-21)9-1-15(58)35(65)16(59)2-9)34(64)26(14)31-30-33-29(44(74)47(77)45(30)75)28-32-27(42(72)46(76)43(28)73)25-13(6-19(62)38(68)41(25)71)53(79)85-22-8-83-52(78)11-4-17(60)36(66)39(69)23(11)24-12(5-18(61)37(67)40(24)70)54(80)86-49(22)51(88-56(32)82)50(31)87-55(33)81/h1-2,4-7,20,22,31,48-51,57-77H,3,8H2/t20-,22-,31+,48-,49-,50+,51+/m1/s1 |
| SMILES |
O=C1O[C@H]2[C@@H](c3c(O)cc4c(c3O)C[C@H](O)[C@@H](c3cc(O)c(O)c(O)c3)O4)c3c(O)c(O)c(O)c(c31)-c1c(O)c(O)c(O)c3c1C(=O)O[C@H]2[C@@H]1OC(=O)c2cc(O)c(O)c(O)c2-c2c(cc(O)c(O)c2O)C(=O)OC[C@H]1OC(=O)c1cc(O)c(O)c(O)c1-3 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Fagaceae | Quercus petraea  | Ref. |
| Plantae | Myrtaceae | Psidium guajava | Ref. |
|
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