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Oleanolic acid

Family: Plantae - Lamiaceae
Kingdom: Plantae
Class: Terpenoid
- Subclass: Triterpene

Canonical Smiles	O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C(=O)O)C)C
InChI	InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1
InChIKey	MIJYXULNPSFWEK-GTOFXWBISA-N
Formula	C₃₀H₄₈O₃
HBA	2
HBD	2
MW	456.71
Rotatable Bonds	1
TPSA	57.53
LogP	7.23
Number Rings	5
Number Aromatic Rings	0
Heavy Atom Count	33
Formal Charge	0
Fraction CSP3	0.9
Exact Mass	456.36
Number of Lipinski Rule Violations	1

#	Species	Family	Kingdom	NCBI Taxonomy ID
1	Viburnum tinus	Adoxaceae	Plantae	237959
2	Atractylis flava	Asteraceae	Plantae	41483
3	Eucalyptus occidentalis	Myrtaceae	Plantae	229548
4	Withania adpressa	Solanaceae	Plantae	2201923
5	Ammi majus	Apiaceae	Plantae	48026
6	Lantana montevidensis	Verbenaceae	Plantae	1241423
7	Vernonia auriculifera	Asteraceae	Plantae	3032568
8	Vernonia auriculifera	Asteraceae	Plantae	3032568
9	Leucas aspera	Lamiaceae	Plantae	483811
10	Baillonella toxisperma (Pierre)	Sapotaceae	Plantae	568230
11	Lavandula multifida	Lamiaceae	Plantae	260634

Showing of synonyms

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