input word = C00008122

Metabolite InformationStructural formula
Name 2'''',2''''',2''''''-Trihydroxy-5''',3'''',5'''''-tribenzylisodiuvaretin
Formula C51H46O9
Mw 802.31418307
CAS RN 154879-10-4
C_ID C00008122 ,
InChIKey IBHMSNPAJLLIPD-UHFFFAOYSA-N
InChICode InChI=1S/C51H46O9/c1-60-51-41(29-35-13-6-8-17-43(35)53)49(58)40(50(59)47(51)46(56)23-18-31-10-3-2-4-11-31)30-39-27-33(20-22-45(39)55)25-36-14-9-15-37(48(36)57)28-38-26-32(19-21-44(38)54)24-34-12-5-7-16-42(34)52/h2-17,19-22,26-27,52-55,57-59H,18,23-25,28-30H2,1H3
SMILES c1ccccc1CCC(=O)c1c(c(c(c(c1O)Cc1cc(ccc1O)Cc1cccc(c1O)Cc1cc(ccc1O)Cc1ccccc1O)O)Cc1c(cccc1)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeXylopia africana Ref.
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