| Name |
Melasquanin C |
| Formula |
C123H80O76 |
| Mw |
2772.23951385 |
| CAS RN |
1110783-60-2 |
| C_ID |
C00034052
, 
|
| InChIKey |
OZFFIIWSYFMNRA-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C123H80O76/c124-27-1-17(2-28(125)67(27)137)109(170)188-40-14-185-112(173)20-7-33(130)70(140)77(147)43(20)44-21(8-34(131)71(141)78(44)148)113(174)191-100(40)106-103-59(57-63(121(182)194-103)52(86(156)97(167)91(57)161)47-24(116(177)197-106)11-37(134)74(144)81(47)151)55-61-50(84(154)95(165)89(55)159)45-22(9-35(132)72(142)79(45)149)114(175)192-101(41(15-186-119(61)180)189-110(171)18-3-29(126)68(138)30(127)4-18)107-104-60(58-64(122(183)195-104)53(87(157)98(168)92(58)162)48-25(117(178)198-107)12-38(135)75(145)82(48)152)56-62-51(85(155)96(166)90(56)160)46-23(10-36(133)73(143)80(46)150)115(176)193-102(42(16-187-120(62)181)190-111(172)19-5-31(128)69(139)32(129)6-19)108-105-94(164)66-65(123(184)196-105)54(88(158)99(169)93(66)163)49-26(118(179)199-108)13-39(136)76(146)83(49)153/h1-13,40-42,59-60,94,100-108,124-169H,14-16H2/t40-,41+,42+,59+,60-,94+,100-,101+,102+,103+,104+,105-,106-,107-,108+/m0/s1 |
| SMILES |
[C@@H]1([C@@H]2[C@@H](OC(=O)c3c(c4c(c1c(c(c4O)O)O)C(=O)O2)c(c(c(c3)O)O)O)[C@@H]1[C@@H](OC(=O)c2cc(c(c(c2)O)O)O)COC(=O)c2c(c3c(C(=O)O1)cc(c(c3O)O)O)c(c(c(c2)O)O)O)c1c2C(=O)OC[C@@H](OC(=O)c3cc(c(c(c3)O)O)O)[C@@H](OC(=O)c3c(c2c(c(c1O)O)O)c(c(c(c3)O)O)O)[C@@H]1OC(=O)c2cc(c(c(c2c2c3c([C@H](c4c5C(=O)OC[C@H]([C@H]([C@H]6OC(=O)c7cc(c(c(c7c7c8c([C@H]([C@@H]6OC8=O)O)c(c(c7O)O)O)O)O)O)OC(=O)c6c(c5c(c(c4O)O)O)c(c(c(c6)O)O)O)OC(=O)c4cc(c(c(c4)O)O)O)[C@H]1OC3=O)c(c(c2O)O)O)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Myrtaceae | Melaleuca squarrosa Donn ex Sm. | Ref. |
|
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