| Name |
Cocciferin T1 |
| Formula |
C116H82O74 |
| Mw |
2658.26533467 |
| CAS RN |
420812-30-2 |
| C_ID |
C00045268
, 
|
| InChIKey |
HOONBGSUFQOYJH-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C116H82O74/c117-21-60-94(182-111(169)33-15-53(132)76(144)84(152)64(33)63-31(109(167)178-60)13-51(130)75(143)83(63)151)93-57(136)22-173-107(165)35-19-58(81(149)87(155)67(35)65-32(110(168)181-93)14-52(131)77(145)85(65)153)177-92-38(18-56(135)80(148)90(92)158)114(172)190-116-100(188-105(163)29-9-47(126)73(141)48(127)10-29)97(185-102(160)26-3-41(120)70(138)42(121)4-26)95-62(180-116)24-175-108(166)36-20-59(82(150)88(156)68(36)66-34(112(170)183-95)16-54(133)78(146)86(66)154)176-91-37(17-55(134)79(147)89(91)157)113(171)184-96-61(23-174-101(159)25-1-39(118)69(137)40(119)2-25)179-115(189-106(164)30-11-49(128)74(142)50(129)12-30)99(187-104(162)28-7-45(124)72(140)46(125)8-28)98(96)186-103(161)27-5-43(122)71(139)44(123)6-27/h1-21,57,60-62,93-100,115-116,118-158H,22-24H2/t57-,60-,61+,62-,93+,94+,95+,96+,97-,98-,99+,100-,115+,116+/m1/s1 |
| SMILES |
c1c(C(=O)O[C@H]2[C@H](OC(=O)c3c(Oc4cc5c(c(c4O)O)c4c(cc(c(c4O)O)O)C(=O)O[C@@H]([C@@H](COC5=O)O)[C@H]4OC(=O)c5cc(c(c(c5c5c(O)c(c(cc5C(=O)O[C@@H]4C=O)O)O)O)O)O)c(O)c(c(c3)O)O)O[C@H]3[C@@H]([C@H]2OC(=O)c2cc(c(c(c2)O)O)O)OC(=O)c2c(c4c(C(=O)OC3)cc(c(c4O)O)Oc3c(c(c(cc3C(=O)O[C@@H]3[C@H]([C@@H]([C@@H](O[C@H]3COC(=O)c3cc(c(c(c3)O)O)O)OC(=O)c3cc(c(c(c3)O)O)O)OC(=O)c3cc(c(c(c3)O)O)O)OC(=O)c3cc(c(c(c3)O)O)O)O)O)O)c(O)c(c(c2)O)O)cc(c(c1O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Fagaceae | Quercus coccifera  | Ref. |
|
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