input word = C00055832

Metabolite InformationStructural formula
Name Ephedrannin Te5
Formula C60H46O27
Mw 1198.22264627
CAS RN 1592431-90-7
C_ID C00055832
InChIKey JBQFHDQWSNCZMJ-PFXXWPNNSA-N
InChICode InChI=1S/C60H46O27/c61-20-10-25(65)39-36(11-20)82-53(17-4-29(69)48(76)30(70)5-17)51(79)45(39)40-26(66)13-27(67)41-47-44-38(85-59(58(47)81,86-55(40)41)18-6-31(71)49(77)32(72)7-18)15-28(68)42-46-43-37(84-60(57(46)80,87-56(42)44)19-8-33(73)50(78)34(74)9-19)14-23(63)21-12-35(75)52(83-54(21)43)16-1-2-22(62)24(64)3-16/h1-11,13-15,35,45-47,51-53,57-58,61-81H,12H2/t35-,45+,46+,47+,51+,52-,53+,57?,58?,59+,60+/m1/s1
SMILES OC1=CC(O[C@](C2=CC(O)=C(O)C(O)=C2)(C3(O)[H])OC4=C(C(O)=CC(O)=C4[C@H]5[C@H](O)[C@H](C6=CC(O)=C(O)C(O)=C6)OC7=C5C(O)=CC(O)=C7)[C@@]83[H])=C8C9=C1[C@@]%10([H])C%11=C(C=C(O)C%12=C%11O[C@H](C%13=CC(O)=C(O)C=C%13)[C@H](O)C%12)O[C@](C%14=CC(O)=C(O)C(O)=C%14)(C%10(O)[H])O9
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEphedraceaeEphedra sinica Ref.
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