input word = C00040954

Metabolite InformationStructural formula
Name Euphorbin B
Formula C82H58O53
Mw 1890.18432683
CAS RN 180006-96-6
C_ID C00040954 ,
InChIKey LTEPLSTTZBVXQH-UHFFFAOYNA-N
InChICode InChI=1S/C82H58O53/c83-27-1-18(2-28(84)50(27)98)69(109)122-16-43-64(128-70(110)19-3-29(85)51(99)30(86)4-19)67(131-71(111)20-5-31(87)52(100)32(88)6-20)68(132-72(112)21-7-33(89)53(101)34(90)8-21)80(126-43)134-77(117)26-13-38(94)56(104)60(108)61(26)127-62-40(96)12-23-46(59(62)107)45-24(11-37(93)55(103)58(45)106)75(115)130-66-48-78(118)124-41-15-39(95)57(105)65-47(41)49-25(14-44(97)82(121,135-65)81(49,119)120)76(116)129-63(66)42(17-123-74(23)114)125-79(48)133-73(113)22-9-35(91)54(102)36(92)10-22/h1-15,42-43,48-49,63-64,66-68,79-80,83-96,98-108,119-121H,16-17H2/t42-,43-,48+,49+,63-,64+,66-,67-,68+,79+,80-,82-/m1/s1
SMILES O=C1OC2C3COC(=O)c4cc(O)c(Oc5c(C(=O)OC6OC(COC(=O)c7cc(O)c(O)c(O)c7)C(OC(=O)c7cc(O)c(O)c(O)c7)C(OC(=O)c7cc(O)c(O)c(O)c7)C6OC(=O)c6cc(O)c(O)c(O)c6)cc(O)c(O)c5O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC2C(C(=O)Oc2cc(O)c(O)c4c2C2C1=CC(=O)C(O)(O4)C2(O)O)C(OC(=O)c1cc(O)c(O)c(O)c1)O3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeAcalypha hispida Ref.
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