| Name |
Squarrosanin C |
| Formula |
C82H54O51 |
| Mw |
1854.16319746 |
| CAS RN |
1110784-05-8 |
| C_ID |
C00034282
, 
|
| InChIKey |
KYAUZICANNZITB-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C82H54O51/c83-18-1-12(2-19(84)46(18)92)73(114)127-28-10-125-79(120)41-35(32-16(7-24(89)51(97)55(32)101)76(117)129-68(28)67(113)65(111)61(107)44-43-39-34-27(126-80(43)121)9-26(91)48(94)45(34)82(123)131-70(39)66(112)62(44)108)57(103)63(109)59(105)37(41)40-38-42-36(58(104)64(110)60(38)106)33-17(8-25(90)52(98)56(33)102)78(119)133-72(71(40)132-81(42)122)69-29(128-74(115)13-3-20(85)47(93)21(86)4-13)11-124-75(116)14-5-22(87)49(95)53(99)30(14)31-15(77(118)130-69)6-23(88)50(96)54(31)100/h1-9,28-29,40,61,65,67-69,71-72,83-113H,10-11H2/t28-,29+,40-,61+,65+,67+,68+,69+,71+,72+/m1/s1 |
| SMILES |
c1(c2c(cc(c1O)O)C(=O)O[C@@H]([C@H](OC(=O)c1cc(c(c(c1)O)O)O)COC(=O)c1c2c(c(c(c1[C@@H]1c2c3c(c(c(c2O)O)O)c2c(c(c(cc2C(=O)O[C@H]([C@H]1OC3=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)O)O)O)O)O)O)[C@H]([C@H]([C@H](c1c2c3c(c(c1O)O)oc(=O)c1c3c(oc2=O)cc(c1O)O)O)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Myrtaceae | Melaleuca squarrosa | Ref. |
|
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