input word = C00042119

Metabolite InformationStructural formula
Name 3beta,13beta-Dihydroxyurs-11-en-28-oic acid
Formula C30H48O4
Mw 472.35526002
CAS RN 180005-32-7
C_ID C00042119 ,
InChIKey APGMOSJLBDURNK-HWLIBZFGNA-N
InChICode InChI=1S/C30H48O4/c1-18-8-14-29(24(32)33)17-16-28(7)27(6)13-9-20-25(3,4)22(31)11-12-26(20,5)21(27)10-15-30(28,34)23(29)19(18)2/h10,15,18-23,31,34H,8-9,11-14,16-17H2,1-7H3,(H,32,33)/t18-,19+,20-,21?,22+,23-,26+,27-,28+,29+,30-/m1/s1
SMILES [C@H]1([C@@H]2[C@](CC[C@H]1C)(CC[C@@]1([C@]2(C=C[C@H]2[C@]1(CC[C@H]1[C@@]2(CC[C@@H](C1(C)C)O)C)C)O)C)C(=O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeNerium oleander Ref.
PlantaeMyrtaceaePsidium guajava Ref.
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