input word = C00024110

Metabolite InformationStructural formula
Name 3beta,24-Dihydroxyurs-12-en-28-oic acid
Formula C30H48O4
Mw 472.35526002
CAS RN 151214-01-6
C_ID C00024110 ,
InChIKey NZCULBURCGAPSF-WRDMITEHNA-N
InChICode InChI=1S/C30H48O4/c1-18-9-14-30(25(33)34)16-15-28(5)20(24(30)19(18)2)7-8-22-26(3)12-11-23(32)27(4,17-31)21(26)10-13-29(22,28)6/h7,18-19,21-24,31-32H,8-17H2,1-6H3,(H,33,34)/t18-,19+,21-,22-,23+,24+,26+,27-,28-,29-,30+/m1/s1
SMILES C1[C@@H]([C@]([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CC[C@H]([C@@H]1C)C)C(=O)O)C)C)C)(C)CO)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeHedyotis lawsoniae (DC.) WIGHT et ARN. Ref.
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