input word = C00059605

Metabolite InformationStructural formula
Name Helioscopin B
Formula C47H36O32
Mw 1112.11896906
CAS RN 130233-87-3
C_ID C00059605
InChIKey WAKYDRBGFREGPP-UHFFFAOYSA-N
InChICode InChI=1S/C47H36O32/c48-15-1-11(2-16(49)26(15)57)36(61)70-10-23-30-32(73-37(62)12-3-17(50)27(58)18(51)4-12)33(40(72-23)77-38(63)13-5-19(52)28(59)20(53)6-13)74-39(64)14-7-21(54)29(60)31-25(14)34-43(41(65)75-30)8-24(56)45(67,46(34,68)78-31)79-44(43)42(66)76-35-22(55)9-71-47(35,44)69/h1-7,22-23,30,32-35,40,48-55,57-60,67-69H,8-10H2
SMILES O=C(OCC1OC(OC(=O)c2cc(O)c(O)c(O)c2)C2OC(=O)c3cc(O)c(O)c4c3C3C(O)(O4)C4(O)OC5(C(=O)OC6C(O)COC65O)C3(CC4=O)C(=O)OC1C2OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeEuphorbia helioscopia Ref.
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