| Name |
Squarrosanin A |
| Formula |
C55H32O33 |
| Mw |
1220.08258356 |
| CAS RN |
1110784-03-6 |
| C_ID |
C00034280
, 
|
| InChIKey |
NCKJEPQXUIIESS-FLFQPCOXNA-N |
| InChICode |
InChI=1S/C55H32O33/c56-12-1-8(2-13(57)32(12)62)49(75)84-19-7-82-50(76)9-3-14(58)34(64)37(67)20(9)21-10(4-15(59)35(65)38(21)68)51(77)85-45(19)48-47-28(26-30-27-23-18(83-53(30)79)6-17(61)33(63)31(23)55(81)86-46(27)44(74)42(26)72)25-29(54(80)87-47)24(40(70)43(73)41(25)71)22-11(52(78)88-48)5-16(60)36(66)39(22)69/h1-6,19,28,45,47-48,56-74H,7H2/t19-,28-,45-,47+,48+/m1/s1 |
| SMILES |
c1(c2c3c(c(c1O)O)[C@@H]([C@@H]([C@@H](OC(=O)c1c2c(c(c(c1)O)O)O)[C@H]1[C@@H](COC(=O)c2c(c(c(c(c2)O)O)O)c2c(c(c(cc2C(=O)O1)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)OC3=O)c1c2c3c(c(c1O)O)oc(=O)c1c3c(oc2=O)cc(c1O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Myrtaceae | Melaleuca squarrosa | Ref. |
|
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