| Name |
Pavetannin D 1 |
| Formula |
C75H60O30 |
| Mw |
1440.31694058 |
| CAS RN |
88057-90-3 |
| C_ID |
C00009310
, 
|
| InChIKey |
HOAKXPRDPFJZDY-VXCNAZHGNA-N |
| InChICode |
InChI=1S/C75H60O30/c76-28-16-41(88)51-49(17-28)100-67(24-2-7-31(78)37(84)12-24)63(96)59(51)56-45(92)21-46(93)57-62-58-50(104-75(74(62)99,105-73(56)57)27-5-10-34(81)40(87)15-27)22-47(94)55-61(65(98)69(103-72(55)58)26-4-9-33(80)39(86)14-26)54-44(91)20-43(90)53-60(64(97)68(102-71(53)54)25-3-8-32(79)38(85)13-25)52-42(89)19-35(82)29-18-48(95)66(101-70(29)52)23-1-6-30(77)36(83)11-23/h1-17,19-22,48,59-69,74,76-99H,18H2/t48-,59-,60-,61+,62-,63-,64-,65-,66-,67-,68-,69-,74-,75-/m1/s1 |
| SMILES |
Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]4c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Lauraceae | Cinnamomum zeylanicum  | Ref. |
| Plantae | Rubiaceae | Pavetta owariensis | Ref. |
|
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