| Name |
Melasquanin A |
| Formula |
C82H54O51 |
| Mw |
1854.16319746 |
| CAS RN |
1110783-53-3 |
| C_ID |
C00034051
, 
|
| InChIKey |
KCXWJDNXPVQLQD-GCDHZLDVNA-N |
| InChICode |
InChI=1S/C82H54O51/c83-19-1-12(2-20(84)45(19)92)73(114)126-28-10-124-75(116)14-5-23(87)47(94)52(99)30(14)32-16(7-25(89)49(96)54(32)101)77(118)128-67(28)71-69-40(38-41(80(121)130-69)35(57(104)64(111)60(38)107)34-18(79(120)132-71)9-27(91)51(98)56(34)103)39-42-36(58(105)65(112)61(39)108)37-43-44(62(109)66(113)59(37)106)63(110)70(131-82(43)123)72(133-81(42)122)68-29(127-74(115)13-3-21(85)46(93)22(86)4-13)11-125-76(117)15-6-24(88)48(95)53(100)31(15)33-17(78(119)129-68)8-26(90)50(97)55(33)102/h1-9,28-29,40,63,67-72,83-113H,10-11H2/t28-,29-,40+,63-,67-,68-,69+,70+,71+,72+/m1/s1 |
| SMILES |
O=C(O[C@@H]1COC(=O)c2cc(O)c(O)c(O)c2-c2c(cc(O)c(O)c2O)C(=O)O[C@H]1[C@@H]1OC(=O)c2c(c(O)c(O)c(O)c2[C@@H]2c3c(O)c(O)c(O)c4c3C(=O)O[C@@H]2[C@H]([C@@H]2OC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)OC[C@H]2OC(=O)c2cc(O)c(O)c(O)c2)OC(=O)c2cc(O)c(O)c(O)c2-4)-c2c(O)c(O)c(O)c3c2C(=O)O[C@H]1[C@@H]3O)c1cc(O)c(O)c(O)c1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Myrtaceae | Melaleuca squarrosa Donn ex Sm. | Ref. |
|
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