| Name |
Yunnaneic acid A |
| Formula |
C54H46O24 |
| Mw |
1078.2379024 |
| CAS RN |
180314-55-0 |
| C_ID |
C00038027
, 
|
| InChIKey |
WLRPCCKPZVGSQJ-YDWXAUTNNA-N |
| InChICode |
InChI=1S/C54H46O24/c55-29-7-1-21(13-33(29)59)15-37(49(66)67)75-39(63)11-5-23-18-28-42(25-4-10-32(58)36(62)20-25)44(51(70)71)43(23)47(65)54(28)77-48-27-17-26(6-12-40(64)76-38(50(68)69)16-22-2-8-30(56)34(60)14-22)46(53(48,74)78-54)45(52(72)73)41(27)24-3-9-31(57)35(61)19-24/h1-14,17-20,27-28,37-38,41-46,48,55-62,74H,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+,48-,53+,54+/m1/s1 |
| SMILES |
O=C(/C=C/C1=CC2C(c3ccc(O)c(O)c3)C(C(=O)O)C1C(=O)C21OC2C3C=C(/C=C/C(=O)OC(Cc4ccc(O)c(O)c4)C(=O)O)C(C(C(=O)O)C3c3ccc(O)c(O)c3)C2(O)O1)OC(Cc1ccc(O)c(O)c1)C(=O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Labiatae | Salvia yunnanensis | Ref. |
|
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