| Name |
Yunnaneic acid B |
| Formula |
C54H46O25 |
| Mw |
1094.23281702 |
| CAS RN |
180314-56-1 |
| C_ID |
C00038028
, 
|
| InChIKey |
UYOUXKDGHGVDEM-YDWXAUTNNA-N |
| InChICode |
InChI=1S/C54H46O25/c55-29-7-1-21(13-33(29)59)15-37(48(66)67)76-39(63)11-5-23-17-27-41(24-3-9-31(57)35(61)19-24)44(50(70)71)43(23)47(65)52(27)78-53(74)28-18-26(6-12-40(64)77-38(49(68)69)16-22-2-8-30(56)34(60)14-22)46(54(53,75)79-52)45(51(72)73)42(28)25-4-10-32(58)36(62)20-25/h1-14,17-20,27-28,37-38,41-46,55-62,74-75H,15-16H2,(H,66,67)(H,68,69)(H,70,71)(H,72,73)/b11-5+,12-6+/t27-,28-,37+,38+,41+,42+,43+,44+,45+,46+,52+,53+,54-/m1/s1 |
| SMILES |
C1(=C[C@@H]2[C@@H]([C@@H]([C@H]1C(=O)[C@]12O[C@]2([C@@](O1)([C@H]1[C@@H]([C@@H]([C@@H]2C(=C1)/C=C/C(=O)O[C@@H](Cc1ccc(c(c1)O)O)C(=O)O)C(=O)O)c1ccc(c(c1)O)O)O)O)C(=O)O)c1ccc(c(c1)O)O)/C=C/C(=O)O[C@H](C(=O)O)Cc1ccc(c(c1)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Labiatae | Salvia yunnanensis | Ref. |
|
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