input word = C00040859

Metabolite InformationStructural formula
Name Acalyphidin D1
Formula C82H54O54
Mw 1902.14794133
CAS RN 222851-29-8
C_ID C00040859 ,
InChIKey KOHCHAZCVWCDRH-UHFFFAOYNA-N
InChICode InChI=1S/C82H54O54/c83-24-1-14(2-25(84)45(24)93)67(106)133-77-65-63-59(127-74(113)21-10-35(91)79(116,117)81(120)43(21)41-18(72(111)131-65)6-30(89)50(98)61(41)135-81)33(125-77)13-123-69(108)20-9-32(52(100)56(104)40(20)39-17(71(110)129-63)5-28(87)48(96)55(39)103)124-58-23(8-29(88)49(97)57(58)105)76(115)134-78-66-64-60(128-75(114)22-11-36(92)80(118,119)82(121)44(22)42-19(73(112)132-66)7-31(90)51(99)62(42)136-82)34(126-78)12-122-68(107)15-3-26(85)46(94)53(101)37(15)38-16(70(109)130-64)4-27(86)47(95)54(38)102/h1-11,33-34,43-44,59-60,63-66,77-78,83-90,93-105,116-121H,12-13H2/t33-,34+,43+,44-,59-,60+,63+,64-,65-,66+,77+,78+,81+,82+/m1/s1
SMILES [C@@H]1([C@H]2[C@H]3OC(=O)c4c(c5c(C(=O)OC[C@H]([C@H]3OC(=O)C3=CC(=O)C([C@@]6([C@@H]3c3c(C(=O)O2)cc(c(c3O6)O)O)O)(O)O)O1)cc(c(c5O)O)Oc1c(cc(c(c1O)O)O)C(=O)O[C@H]1[C@@H]2[C@@H]3OC(=O)c5c(c6c(C(=O)OC[C@@H]([C@@H]3OC(=O)C3=CC(=O)C([C@@]7([C@H]3c3c(C(=O)O2)cc(c(c3O7)O)O)O)(O)O)O1)cc(c(c6O)O)O)c(c(c(c5)O)O)O)c(c(c(c4)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeAcalypha hispida Ref.
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