| Name |
Monochaetin
Monochaetin (Monochaetum)
Diquercetin 3-galactoside ester of tetrahydroxy-my-truxinic acid
3,3'-[6,6'-O-[[(1alpha,2beta,3beta,4alpha)-3,4-bis(3,4-dihydroxyphenyl)-1,2-cyclobutanediyl]dicarbonyl]bis(beta-D-galactopyranosyloxy)]bis[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one |
| Formula |
C60H52O30 |
| Mw |
1252.25434033 |
| CAS RN |
252199-99-8 |
| C_ID |
C00013895
, 
|
| InChIKey |
HMCNEGJHHUODFW-TVPYJPFDNA-N |
| InChICode |
InChI=1S/C60H52O30/c61-23-13-33(71)41-35(15-23)85-53(21-3-7-27(65)31(69)11-21)55(47(41)75)89-59-51(79)49(77)45(73)37(87-59)17-83-57(81)43-39(19-1-5-25(63)29(67)9-19)40(20-2-6-26(64)30(68)10-20)44(43)58(82)84-18-38-46(74)50(78)52(80)60(88-38)90-56-48(76)42-34(72)14-24(62)16-36(42)86-54(56)22-4-8-28(66)32(70)12-22/h1-16,37-40,43-46,49-52,59-74,77-80H,17-18H2/t37-,38+,39-,40-,43-,44-,45+,46+,49+,50+,51-,52+,59+,60+/m1/s1 |
| SMILES |
O=C(OCC1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)[C@@H](O)[C@H]1O)[C@H]1[C@H](C(=O)OCC2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)C(O)[C@@H](O)[C@H]2O)[C@H](c2ccc(O)c(O)c2)[C@H]1c1ccc(O)c(O)c1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Fungi | Amphisphaeriaceae | Monochaetia compta | Ref. |
| Fungi | Amphisphaeriaceae | Monochaetia compta PRL 1754 | Ref. |
| Plantae | Melastomataceae | Monochaetum multiflorum | Ref. |
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