| Name |
Oenotherin T1 |
| Formula |
C102H72O67 |
| Mw |
2368.22268199 |
| CAS RN |
412955-91-0 |
| C_ID |
C00037577
, 
|
| InChIKey |
VOCXIVHLNPTMST-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C102H72O67/c103-16-51(85(166-89(139)22-1-34(106)61(121)35(107)2-22)82-45(117)19-154-92(142)25-7-40(112)64(124)72(132)55(25)56-26(95(145)163-82)8-41(113)65(125)73(56)133)160-98(148)31-9-42(114)66(126)76(136)79(31)157-48-12-27-57(74(134)69(48)129)58-28-13-49(70(130)75(58)135)158-80-32(10-43(115)67(127)77(80)137)99(149)162-53(18-105)87(168-91(141)24-5-38(110)63(123)39(111)6-24)84-47(119)21-156-94(144)29-14-50(71(131)88-59(29)60-30(97(147)165-84)15-54(120)101(151,152)102(60,153)169-88)159-81-33(11-44(116)68(128)78(81)138)100(150)161-52(17-104)86(83(164-96(28)146)46(118)20-155-93(27)143)167-90(140)23-3-36(108)62(122)37(109)4-23/h1-18,45-47,51-53,60,82-87,106-119,121-138,151-153H,19-21H2/t45-,46+,47-,51-,52-,53+,60+,82+,83+,84-,85+,86+,87+,102+/m1/s1 |
| SMILES |
O=CC1OC(=O)c2cc(O)c(O)c(O)c2Oc2cc3c(c(O)c2O)-c2c(cc(Oc4c(C(=O)OC(C=O)C(OC(=O)c5cc(O)c(O)c(O)c5)C5OC(=O)c6cc(O)c(O)c(O)c6-c6c(cc(O)c(O)c6O)C(=O)OCC5O)cc(O)c(O)c4O)c(O)c2O)C(=O)OCC(O)C(OC3=O)C(OC(=O)c2cc(O)c(O)c(O)c2)C(C=O)OC(=O)c2cc(O)c(O)c(O)c2Oc2cc3c4c(c2O)OC2(O)C4C(=CC(=O)C2(O)O)C(=O)OC(C(O)COC3=O)C1OC(=O)c1cc(O)c(O)c(O)c1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Onagraceae | Oenothera tetraptera | Ref. |
|
|
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