| Name |
Hirtellin B |
| Formula |
C82H56O52 |
| Mw |
1872.17376215 |
| CAS RN |
135404-48-7 |
| C_ID |
C00035326
, 
|
| InChIKey |
FLPCODRBPBQITI-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C82H56O52/c83-26-1-16(2-27(84)47(26)95)71(112)129-67-65-39(14-122-74(115)19-7-32(89)50(98)57(105)41(19)43-21(76(117)127-65)9-34(91)52(100)59(43)107)125-81(133-73(114)18-5-30(87)49(97)31(88)6-18)69(67)132-80(121)25-12-37(94)55(103)63(111)64(25)124-38-13-24-46(62(110)56(38)104)45-23(11-36(93)54(102)61(45)109)79(120)134-82-70(131-78(24)119)68(130-72(113)17-3-28(85)48(96)29(86)4-17)66-40(126-82)15-123-75(116)20-8-33(90)51(99)58(106)42(20)44-22(77(118)128-66)10-35(92)53(101)60(44)108/h1-13,39-40,65-70,81-111H,14-15H2/t39-,40-,65+,66-,67+,68-,69+,70-,81-,82+/m0/s1 |
| SMILES |
c1(cc2c(c(c1O)O)c1c(cc(c(c1O)O)O)C(=O)O[C@H]1[C@H](COC2=O)O[C@H]2[C@H]([C@H]1OC(=O)c1cc(c(c(c1)O)O)O)OC(=O)c1cc(c(c(c1c1c(cc(c(c1O)O)O)C(=O)O2)O)O)Oc1c(C(=O)O[C@H]2[C@H](OC(=O)c3cc(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)O)c(c(c(c2)O)O)O)cc(c(c1O)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Tamaricaceae | Reaumuria hirtella | Ref. |
|
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