input word = C00055828

Metabolite InformationStructural formula
Name Ephedrannin Te1
Formula C60H46O28
Mw 1214.21756089
CAS RN 1592431-81-6
C_ID C00055828
InChIKey TZCPCAYTRLFHQW-KNXKIWMJSA-N
InChICode InChI=1S/C60H46O28/c61-19-9-22(63)38-35(10-19)85-59(17-5-30(71)49(78)31(72)6-17)57(81)45(38)43-37(86-59)14-25(66)39-44(51(80)53(84-55(39)43)16-3-28(69)48(77)29(70)4-16)40-23(64)12-24(65)41-46-42-36(87-60(58(46)82,88-56(40)41)18-7-32(73)50(79)33(74)8-18)13-21(62)20-11-34(75)52(83-54(20)42)15-1-26(67)47(76)27(68)2-15/h1-10,12-14,34,44-46,51-53,57-58,61-82H,11H2/t34-,44-,45-,46-,51+,52+,53+,57?,58?,59+,60-/m0/s1
SMILES OC1=CC(O)=CC2=C1[C@@]3([H])C4=C(C=C(O)C5=C4O[C@H](C6=CC(O)=C(O)C(O)=C6)[C@H](O)[C@@H]5C7=C(O)C=C(O)C8=C7O[C@@](C9=CC(O)=C(O)C(O)=C9)(C%10(O)[H])OC(C=C(O)C%11=C%12O[C@H](C%13=CC(O)=C(O)C(O)=C%13)[C@@H](O)C%11)=C%12[C@]8%10[H])O[C@](C%14=CC(O)=C(O)C(O)=C%14)(C3(O)[H])O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEphedraceaeEphedra sinica Ref.
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