input word = C00035019

Metabolite InformationStructural formula
Name 3alpha,25-Dihydroxytirucall-8-en-21-oic acid
Formula C30H50O4
Mw 474.37091008
CAS RN 905836-09-1
C_ID C00035019 ,
InChIKey OXLMQAKCNSYPEG-IIIMJRHWNA-N
InChICode InChI=1S/C30H50O4/c1-26(2,34)15-8-9-19(25(32)33)20-12-17-30(7)22-10-11-23-27(3,4)24(31)14-16-28(23,5)21(22)13-18-29(20,30)6/h19-20,23-24,31,34H,8-18H2,1-7H3,(H,32,33)/t19-,20-,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)CCCC(O)(C)C)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