input word = C00032041

Metabolite InformationStructural formula
Name 3beta,27-Dihydroxy-12-oleanen-28-oic acid
Myricerol
Formula C30H48O4
Mw 472.35526002
CAS RN 55497-67-1
C_ID C00032041 ,
InChIKey ADBMMSFXIFGNAX-PNFVKZQLNA-N
InChICode InChI=1S/C30H48O4/c1-25(2)13-14-29(24(33)34)15-16-30(18-31)19(20(29)17-25)7-8-22-27(5)11-10-23(32)26(3,4)21(27)9-12-28(22,30)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21-,22+,23-,27-,28+,29-,30-/m0/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)(CCC(C1)(C)C)C(=O)O)CO)C)C)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeNerium oleander Ref.
PlantaeMalvaceaeHibiscus taiwanensis Ref.
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