input word = C00042120

Metabolite InformationStructural formula
Name 3beta,27-Dihydroxy-12-ursen-28-oic acid
Formula C30H48O4
Mw 472.35526002
CAS RN 73584-74-4
C_ID C00042120 ,
InChIKey YBQHMGFOAOJZCG-WFXDLHENNA-N
InChICode InChI=1S/C30H48O4/c1-18-9-14-29(25(33)34)15-16-30(17-31)20(24(29)19(18)2)7-8-22-27(5)12-11-23(32)26(3,4)21(27)10-13-28(22,30)6/h7,18-19,21-24,31-32H,8-17H2,1-6H3,(H,33,34)/t18-,19+,21+,22-,23+,24+,27+,28-,29+,30+/m1/s1
SMILES [C@H]1([C@@H]2[C@](CC[C@H]1C)(CC[C@@]1(C2=CC[C@H]2[C@]1(CC[C@@H]1[C@@]2(CC[C@@H](C1(C)C)O)C)C)CO)C(=O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeNerium oleander Ref.
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