| Name |
Brediatin B |
| Formula |
C68H50O44 |
| Mw |
1570.16749498 |
| CAS RN |
160490-93-7 |
| C_ID |
C00035254
, 
|
| InChIKey |
IHGLCSPPSAUARH-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C68H50O44/c69-22-1-14(2-23(70)39(22)79)59(94)102-12-33-55(52(92)53(93)67(105-33)111-60(95)15-3-24(71)40(80)25(72)4-15)107-66(101)21-10-31(78)45(85)51(91)54(21)104-32-11-20-38(50(90)46(32)86)37-17(7-28(75)44(84)49(37)89)63(98)108-56-34(13-103-62(20)97)106-68(112-61(96)16-5-26(73)41(81)27(74)6-16)58-57(56)109-64(99)18-8-29(76)42(82)47(87)35(18)36-19(65(100)110-58)9-30(77)43(83)48(36)88/h1-11,33-34,52-53,55-58,67-93H,12-13H2/t33-,34-,52-,53-,55+,56-,57-,58-,67+,68+/m0/s1 |
| SMILES |
c12C(=O)O[C@@H]3[C@H](OC(=O)c4c(c1c(c(c(c2)O)O)O)c(c(c(c4)O)O)O)[C@H](O[C@@H]1[C@@H]3OC(=O)c2c(c3c(C(=O)OC1)cc(c(c3O)O)Oc1c(c(c(cc1C(=O)O[C@@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)OC(=O)c1cc(c(c(c1)O)O)O)COC(=O)c1cc(c(c(c1)O)O)O)O)O)O)c(c(c(c2)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Melastomataceae | Bredia tuberuculata | Ref. |
| Plantae | Melastomataceae | Monochaetum multiflorum | Ref. |
| Plantae | Melastomataceae | Tibouchina semidecandra | Ref. |
|
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