input word = C00035018

Metabolite InformationStructural formula
Name 3alpha,24R,25-Trihydroxytirucall-8-en-21-oic acid
(+)-3alpha,24R,25-Trihydroxytirucall-8-en-21-oic acid
Formula C30H50O5
Mw 490.36582471
CAS RN 905836-08-0
C_ID C00035018 ,
InChIKey TUEMBEZTCGUGMB-XTZXTGPKNA-N
InChICode InChI=1S/C30H50O5/c1-26(2)22-10-9-21-20(28(22,5)15-14-23(26)31)13-17-29(6)19(12-16-30(21,29)7)18(25(33)34)8-11-24(32)27(3,4)35/h18-19,22-24,31-32,35H,8-17H2,1-7H3,(H,33,34)/t18-,19-,22-,23+,24+,28+,29-,30+/m0/s1
SMILES C1[C@H](C([C@H]2[C@](C1)(C1=C(CC2)[C@@]2([C@@](CC1)([C@@H](CC2)[C@@H](C(=O)O)CC[C@H](C(O)(C)C)O)C)C)C)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnacardiaceaeOzoroa insignis Ref.
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OrganismOzoroa insignis
ReferenceLiu,Phytochem.,67,(2006),1309