input word = C00059604

Metabolite InformationStructural formula
Name Helioscopin A
Formula C47H34O32
Mw 1110.103319
CAS RN 130233-86-2
C_ID C00059604
InChIKey SBTSFGGKABBACZ-UHFFFAOYSA-N
InChICode InChI=1S/C47H34O32/c48-13-1-9(2-14(49)24(13)55)36(61)73-32-30-19-8-70-37(62)10-3-15(50)25(56)28(59)21(10)22-11(4-16(51)26(57)29(22)60)39(64)77-40(72-19)33(32)74-38(63)12-5-17(52)27(58)31-23(12)34-43(41(65)75-30)6-20(54)45(67,46(34,68)78-31)79-44(43)42(66)76-35-18(53)7-71-47(35,44)69/h1-5,18-19,30,32-35,40,48-53,55-60,67-69H,6-8H2
SMILES O=C(OC1C2OC(=O)C34CC(=O)C(O)(OC35C(=O)OC3C(O)COC35O)C3(O)Oc5c(O)c(O)cc(c5C34)C(=O)OC1C1OC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)OCC2O1)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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