input word = C00043368

Metabolite InformationStructural formula
Name Certonardosterol B2
Formula C28H48O5
Mw 464.35017464
CAS RN 681240-63-1
C_ID C00043368 ,
InChIKey KCGCBQKWOISAIN-NDBLTZRQNA-N
InChICode InChI=1S/C28H48O5/c1-15(17(3)14-29)6-7-16(2)20-13-23(32)24-18-12-22(31)25-26(33)21(30)9-11-27(25,4)19(18)8-10-28(20,24)5/h6-7,15-26,29-33H,8-14H2,1-5H3/b7-6+/t15-,16+,17-,18-,19+,20-,21+,22+,23-,24-,25+,26+,27-,28-/m1/s1
SMILES C1[C@H]2[C@H]([C@H]3[C@](C1)([C@H](C[C@H]3O)[C@@H](C)/C=C/[C@H]([C@@H](CO)C)C)C)C[C@@H]([C@@H]1[C@@]2(CC[C@@H]([C@@H]1O)O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Certonardoa semiregularis Ref.
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