input word = C00059602

Metabolite InformationStructural formula
Name Helioscopinin A
Formula C41H28O27
Mw 952.0817957
CAS RN 130036-74-7
C_ID C00059602
InChIKey LZWBAZIQHWROOC-UHFFFAOYSA-N
InChICode InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)65-32-30-18-7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(4-16(45)26(50)29(21)53)37(57)67-39(63-18)33(32)66-38(58)12-6-19(47)41(61)40(59,60)23(12)22-11(36(56)64-30)5-17(46)27(51)31(22)68-41/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2
SMILES O=C1OC2C3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OCC(O3)C(OC(=O)c3cc(O)c(O)c4c3C3C1=CC(=O)C(O)(O4)C3(O)O)C2OC(=O)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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