| Name |
Pavetannin B 5
[6S-[6alpha,10alpha,11beta,12beta(2S*,3S*),14alpha,15S*]]-6,10-bis(3,4-Dihydroxyphenyl)-12-[2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-8-yl]-11,12-dihydro-6,14-methano-10H,14H-[1]benzopyrano[7,6-d][1,3]benzodioxocin-1,3,11,13,15-pentol |
| Formula |
C45H36O18 |
| Mw |
864.19016435 |
| CAS RN |
139975-03-4 |
| C_ID |
C00013282
, 
|
| InChIKey |
SOKYHUMNMVKLJW-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-30-35(39(36)57)37(40(58)42(60-30)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-29(56)41(61-43(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,29,37-38,40-42,44,46-59H,12H2/t29-,37+,38+,40+,41-,42-,44+,45-/m1/s1 |
| SMILES |
Oc1cc(O)c2c(c1)OC1(c3ccc(O)c(O)c3)Oc3cc4c(c(O)c3C2C1O)C(c1c(O)cc(O)c2c1OC(c1ccc(O)c(O)c1)C(O)C2)C(O)C(c1ccc(O)c(O)c1)O4 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Rubiaceae | Pavetta owariensis  | Ref. |
|
|
zoom in
| Organism | Pavetta owariensis |
|---|
| Reference | Balde,Phytochem.,0,(1991),4129
Balde,J.Nat.Prod.,56,(1993),1078 |
|---|
|
