input word = C00058463

Metabolite InformationStructural formula
Name Elaeocarpusin
Formula C47H34O32
Mw 1110.103319
CAS RN 102382-31-0
C_ID C00058463
InChIKey XCXWMHRRISFUFF-DEERDZCDSA-N
InChICode InChI=1S/C47H34O32/c48-13-1-9(2-14(49)24(13)55)36(61)77-40-33-32-30(19(72-40)8-70-37(62)10-3-15(50)25(56)28(59)21(10)22-11(38(63)73-32)4-16(51)26(57)29(22)60)75-41(65)43-6-20(54)45(67,79-44(43)42(66)76-35-18(53)7-71-47(35,44)69)46(68)34(43)23-12(39(64)74-33)5-17(52)27(58)31(23)78-46/h1-5,18-19,30,32-35,40,48-53,55-60,67-69H,6-8H2/t18?,19-,30-,32+,33-,34?,35?,40+,43?,44?,45?,46?,47?/m1/s1
SMILES O=C(OC1OC2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)OC3C2OC(=O)C24CC(=O)C(O)(OC25C(=O)OC2C(O)COC25O)C2(O)Oc5c(O)c(O)cc(c5C24)C(=O)OC13)c1cc(O)c(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeEuphorbia helioscopia Ref.
PlantaePhyllanthaceaePhyllanthus emblica Ref.
--Aceraceae nikoense Ref.
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