input word = C00060608

Metabolite InformationStructural formula
Name Terrestrosin H
Formula C51H86O24
Mw 1082.55090368
CAS RN 193604-62-5
C_ID C00060608
InChIKey OFEAYOYKIQKFSK-MDEIDCOFSA-N
InChICode InChI=1S/C51H86O24/c1-20(19-67-45-40(63)36(59)33(56)28(15-52)69-45)7-12-51(66)21(2)32-27(75-51)14-26-24-6-5-22-13-23(8-10-49(22,3)25(24)9-11-50(26,32)4)68-46-42(65)39(62)43(31(18-55)72-46)73-48-44(38(61)35(58)30(17-54)71-48)74-47-41(64)37(60)34(57)29(16-53)70-47/h20-48,52-66H,5-19H2,1-4H3/t20?,21-,22-,23-,24+,25-,26-,27-,28+,29+,30+,31+,32-,33+,34-,35+,36-,37-,38-,39+,40+,41+,42+,43-,44+,45+,46+,47-,48-,49-,50-,51+/m0/s1
SMILES CC(CCC1(O)OC2CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZygophyllaceaeTribulus terrestris Ref.
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